benzoic acid; 3-(4-phenylpiperidin-1-yl)propan-1-ol; hydrochloride

Systemtic Name: benzoic acid; 3-(4-phenylpiperidin-1-yl)propan-1-ol; hydrochloride Openeye Name: benzoic acid; 3-(4-phenyl-1-piperidyl)propan-1-ol; hydrochloride CAS Name: benzoic acid; 3-(4-phenyl-1-piperidinyl)-1-propanol; hydrochloride IUPAC Name: benzoic acid; 3-(4-phenylpiperidin-1-yl)propan-1-ol; hydrochloride Traditional Name: benzoic acid; 3-(4-phenylpiperidino)propan-1-ol; hydrochloride Formula: C21H28ClNO3 MolecularWeight: 377.90492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCCO.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CCCO.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C14H21NO.C7H6O2.ClH/c16-12-4-9-15-10-7-14(8-11-15)13-5-2-1-3-6-13;8-7(9)6-4-2-1-3-5-6;/h1-3,5-6,14,16H,4,7-12H2;1-5H,(H,8,9);1H