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

Systemtic Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] propanoate dihydrochloride Openeye Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] propanoate dihydrochloride CAS Name: propanoic 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] propanoate dihydrochloride Traditional Name: propionic acid [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester dihydrochloride Formula: C24H40Cl2N2O2 MolecularWeight: 459.4926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC(N(CC1(C)CN2CCCCCC2)C)C)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCC(=O)OC1(CC(N(CC1(C)CN2CCCCCC2)C)C)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C24H38N2O2.2ClH/c1-5-22(27)28-24(21-13-9-8-10-14-21)17-20(2)25(4)18-23(24,3)19-26-15-11-6-7-12-16-26;;/h8-10,13-14,20H,5-7,11-12,15-19H2,1-4H3;2*1H