benzoic acid; 3-(2-phenethylpiperidin-1-yl)propan-1-ol; hydrochloride

Systemtic Name: benzoic acid; 3-(2-phenethylpiperidin-1-yl)propan-1-ol; hydrochloride Openeye Name: benzoic acid; 3-(2-phenethyl-1-piperidyl)propan-1-ol; hydrochloride CAS Name: benzoic acid; 3-(2-phenethyl-1-piperidinyl)-1-propanol; hydrochloride IUPAC Name: benzoic acid; 3-(2-phenethylpiperidin-1-yl)propan-1-ol; hydrochloride Traditional Name: benzoic acid; 3-(2-phenethylpiperidino)propan-1-ol; hydrochloride Formula: C23H32ClNO3 MolecularWeight: 405.95808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCC2=CC=CC=C2)CCCO.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

C1CCN(C(C1)CCC2=CC=CC=C2)CCCO.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C16H25NO.C7H6O2.ClH/c18-14-6-13-17-12-5-4-9-16(17)11-10-15-7-2-1-3-8-15;8-7(9)6-4-2-1-3-5-6;/h1-3,7-8,16,18H,4-6,9-14H2;1-5H,(H,8,9);1H