[5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] 4-azanylbenzoate dihydrochloride

Systemtic Name: [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] 4-azanylbenzoate dihydrochloride Openeye Name: [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] 4-aminobenzoate dihydrochloride CAS Name: 4-aminobenzoic acid [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride IUPAC Name: [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-aminobenzoate dihydrochloride Traditional Name: 4-aminobenzoic acid [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester dihydrochloride Formula: C26H39Cl2N3O2 MolecularWeight: 496.51276

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N)C)C)C.Cl.Cl

Isomeric SMILES

CCN(CC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N)C)C)C.Cl.Cl

InChI

InChI=1S/C26H37N3O2.2ClH/c1-6-29(7-2)19-25(4)18-28(5)20(3)17-26(25,22-11-9-8-10-12-22)31-24(30)21-13-15-23(27)16-14-21;;/h8-16,20H,6-7,17-19,27H2,1-5H3;2*1H