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

Systemtic Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] ethanoate dihydrochloride Openeye Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] acetate dihydrochloride CAS Name: acetic 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] acetate dihydrochloride Traditional Name: acetic acid [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester dihydrochloride Formula: C23H38Cl2N2O2 MolecularWeight: 445.46602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O2.2ClH/c1-19-16-23(27-20(2)26,21-12-8-7-9-13-21)22(3,17-24(19)4)18-25-14-10-5-6-11-15-25;;/h7-9,12-13,19H,5-6,10-11,14-18H2,1-4H3;2*1H