benzoic acid; 3-[2-(phenylmethyl)piperidin-1-yl]propan-1-ol; hydrochloride

Systemtic Name: benzoic acid; 3-[2-(phenylmethyl)piperidin-1-yl]propan-1-ol; hydrochloride Openeye Name: benzoic acid; 3-(2-benzyl-1-piperidyl)propan-1-ol; hydrochloride CAS Name: benzoic acid; 3-[2-(phenylmethyl)-1-piperidinyl]-1-propanol; hydrochloride IUPAC Name: benzoic acid; 3-(2-benzylpiperidin-1-yl)propan-1-ol; hydrochloride Traditional Name: benzoic acid; 3-(2-benzylpiperidino)propan-1-ol; hydrochloride Formula: C22H30ClNO3 MolecularWeight: 391.9315

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC2=CC=CC=C2)CCCO.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

C1CCN(C(C1)CC2=CC=CC=C2)CCCO.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C15H23NO.C7H6O2.ClH/c17-12-6-11-16-10-5-4-9-15(16)13-14-7-2-1-3-8-14;8-7(9)6-4-2-1-3-5-6;/h1-3,7-8,15,17H,4-6,9-13H2;1-5H,(H,8,9);1H