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

Systemtic Name: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] benzoate dihydrochloride Openeye Name: [1,2,5-trimethyl-4-phenyl-5-(1-piperidylmethyl)-4-piperidyl] benzoate dihydrochloride CAS Name: benzoic acid [1,2,5-trimethyl-4-phenyl-5-(1-piperidinylmethyl)-4-piperidinyl] ester dihydrochloride IUPAC Name: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] benzoate dihydrochloride Traditional Name: benzoic acid [1,2,5-trimethyl-4-phenyl-5-(piperidinomethyl)-4-piperidyl] ester dihydrochloride Formula: C27H38Cl2N2O2 MolecularWeight: 493.50882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C27H36N2O2.2ClH/c1-22-19-27(24-15-9-5-10-16-24,31-25(30)23-13-7-4-8-14-23)26(2,20-28(22)3)21-29-17-11-6-12-18-29;;/h4-5,7-10,13-16,22H,6,11-12,17-21H2,1-3H3;2*1H