2-acetyloxybenzoic acid; 2-diethylaminoethyl phenothiazine-10-carboxylate; (E)-2-(dimethylaminomethyl)-2-methyl-1-phenyl-1-phenylmethoxy-pent-3-en-1-ol; 1,5-dimethyl-2-phenyl-pyrazol-3-one; 1,3,7-trimethylpurine-2,6-dione; dihydrochloride

Systemtic Name: 2-acetyloxybenzoic acid; 2-diethylaminoethyl phenothiazine-10-carboxylate; (E)-2-(dimethylaminomethyl)-2-methyl-1-phenyl-1-phenylmethoxy-pent-3-en-1-ol; 1,5-dimethyl-2-phenyl-pyrazol-3-one; 1,3,7-trimethylpurine-2,6-dione; dihydrochloride Openeye Name: 2-acetoxybenzoic acid; (E)-1-benzyloxy-2-(dimethylaminomethyl)-2-methyl-1-phenyl-pent-3-en-1-ol; 2-diethylaminoethyl phenothiazine-10-carboxylate; 1,5-dimethyl-2-phenyl-pyrazol-3-one; 1,3,7-trimethylpurine-2,6-dione; dihydrochloride CAS Name: 2-acetyloxybenzoic acid; (E)-2-(dimethylaminomethyl)-2-methyl-1-phenyl-1-phenylmethoxy-3-penten-1-ol; 1,5-dimethyl-2-phenyl-3-pyrazolone; 10-phenothiazinecarboxylic acid 2-diethylaminoethyl ester; 1,3,7-trimethylpurine-2,6-dione; dihydrochloride IUPAC Name: 2-acetyloxybenzoic acid; 2-diethylaminoethyl phenothiazine-10-carboxylate; (E)-2-(dimethylaminomethyl)-2-methyl-1-phenyl-1-phenylmethoxypent-3-en-1-ol; 1,5-dimethyl-2-phenylpyrazol-3-one; 1,3,7-trimethylpurine-2,6-dione; dihydrochloride Traditional Name: 2-acetoxybenzoic acid; antipyrine; (E)-1-benzoxy-2-(dimethylaminomethyl)-2-methyl-1-phenyl-pent-3-en-1-ol; caffeine; phenothiazine-10-carboxylic acid 2-diethylaminoethyl ester; dihydrochloride Formula: C69H83Cl2N9O11S MolecularWeight: 1317.42202

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.CC=CC(C)(CN(C)C)C(C1=CC=CC=C1)(O)OCC2=CC=CC=C2.CC1=CC(=O)N(N1C)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.C/C=C/C(C)(CN(C)C)C(C1=CC=CC=C1)(O)OCC2=CC=CC=C2.CC1=CC(=O)N(N1C)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl.Cl

InChI

InChI=1S/C22H29NO2.C19H22N2O2S.C11H12N2O.C9H8O4.C8H10N4O2.2ClH/c1-5-16-21(2,18-23(3)4)22(24,20-14-10-7-11-15-20)25-17-19-12-8-6-9-13-19;1-3-20(4-2)13-14-23-19(22)21-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)21;1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;;/h5-16,24H,17-18H2,1-4H3;5-12H,3-4,13-14H2,1-2H3;3-8H,1-2H3;2-5H,1H3,(H,11,12);4H,1-3H3;2*1H/b16-5+;;;;;;