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

Systemtic Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; propanoic acid; dihydrochloride Openeye Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; propionic acid; dihydrochloride CAS Name: 5-(2-azepanylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinol; propanoic acid; dihydrochloride IUPAC Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-ol; propanoic acid; dihydrochloride Traditional Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; propionic acid; dihydrochloride Formula: C24H42Cl2N2O3 MolecularWeight: 477.50788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O.C3H6O2.2ClH/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)5;;/h4,6-7,10-11,17,19,22,24H,5,8-9,12-16H2,1-3H3;2H2,1H3,(H,4,5);2*1H