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

Systemtic Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; ethanoic acid; dihydrochloride Openeye Name: acetic acid; 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; dihydrochloride CAS Name: acetic acid; 5-(2-azepanylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinol; dihydrochloride IUPAC Name: acetic acid; 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-ol; dihydrochloride Traditional Name: acetic acid; 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; dihydrochloride Formula: C23H40Cl2N2O3 MolecularWeight: 463.4813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O.C2H4O2.2ClH/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;1-2(3)4;;/h4,6-7,10-11,17,19,22,24H,5,8-9,12-16H2,1-3H3;1H3,(H,3,4);2*1H