propyl 4-phenyl-3-piperidin-1-yl-piperidine-4-carboxylate hydrate dihydrochloride

Systemtic Name: propyl 4-phenyl-3-piperidin-1-yl-piperidine-4-carboxylate hydrate dihydrochloride Openeye Name: propyl 4-phenyl-3-(1-piperidyl)piperidine-4-carboxylate hydrate dihydrochloride CAS Name: 4-phenyl-3-(1-piperidinyl)-4-piperidinecarboxylic acid propyl ester hydrate dihydrochloride IUPAC Name: propyl 4-phenyl-3-piperidin-1-ylpiperidine-4-carboxylate hydrate dihydrochloride Traditional Name: 4-phenyl-3-piperidino-isonipecotic acid propyl ester hydrate dihydrochloride Formula: C20H34Cl2N2O3 MolecularWeight: 421.40156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1(CCNCC1N2CCCCC2)C3=CC=CC=C3.O.Cl.Cl

Isomeric SMILES

CCCOC(=O)C1(CCNCC1N2CCCCC2)C3=CC=CC=C3.O.Cl.Cl

InChI

InChI=1S/C20H30N2O2.2ClH.H2O/c1-2-15-24-19(23)20(17-9-5-3-6-10-17)11-12-21-16-18(20)22-13-7-4-8-14-22;;;/h3,5-6,9-10,18,21H,2,4,7-8,11-16H2,1H3;2*1H;1H2