[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] benzoate dihydrochloride

Systemtic Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] benzoate dihydrochloride Openeye Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] benzoate dihydrochloride CAS Name: benzoic acid [5-(1-azepanylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride IUPAC Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] benzoate dihydrochloride Traditional Name: benzoic acid [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester dihydrochloride Formula: C28H40Cl2N2O2 MolecularWeight: 507.5354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C28H38N2O2.2ClH/c1-23-20-28(25-16-10-7-11-17-25,32-26(31)24-14-8-6-9-15-24)27(2,21-29(23)3)22-30-18-12-4-5-13-19-30;;/h6-11,14-17,23H,4-5,12-13,18-22H2,1-3H3;2*1H