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

Systemtic Name: [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] 4-nitrobenzoate dihydrochloride Openeye Name: [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] 4-nitrobenzoate dihydrochloride CAS Name: 4-nitrobenzoic 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-nitrobenzoate dihydrochloride Traditional Name: 4-nitrobenzoic acid [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester dihydrochloride Formula: C26H37Cl2N3O4 MolecularWeight: 526.49568

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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+](=O)[O-])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+](=O)[O-])C)C)C.Cl.Cl

InChI

InChI=1S/C26H35N3O4.2ClH/c1-6-28(7-2)19-25(4)18-27(5)20(3)17-26(25,22-11-9-8-10-12-22)33-24(30)21-13-15-23(16-14-21)29(31)32;;/h8-16,20H,6-7,17-19H2,1-5H3;2*1H