5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; benzoic acid; dihydrochloride

Systemtic Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; benzoic acid; dihydrochloride Openeye Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; benzoic acid; dihydrochloride CAS Name: 5-(2-azepanylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinol; benzoic acid; dihydrochloride IUPAC Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-ol; benzoic acid; dihydrochloride Traditional Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; benzoic acid; dihydrochloride Formula: C28H42Cl2N2O3 MolecularWeight: 525.55068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CC2CCCCCN2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O.Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CC2CCCCCN2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O.Cl.Cl

InChI

InChI=1S/C21H34N2O.C7H6O2.2ClH/c1-17-14-21(24,18-10-6-4-7-11-18)20(2,16-23(17)3)15-19-12-8-5-9-13-22-19;8-7(9)6-4-2-1-3-5-6;;/h4,6-7,10-11,17,19,22,24H,5,8-9,12-16H2,1-3H3;1-5H,(H,8,9);2*1H