3-[2-(4-phenylbutyl)piperidin-1-yl]propyl benzoate hydrochloride

Systemtic Name: 3-[2-(4-phenylbutyl)piperidin-1-yl]propyl benzoate hydrochloride Openeye Name: 3-[2-(4-phenylbutyl)-1-piperidyl]propyl benzoate hydrochloride CAS Name: benzoic acid 3-[2-(4-phenylbutyl)-1-piperidinyl]propyl ester hydrochloride IUPAC Name: 3-[2-(4-phenylbutyl)piperidin-1-yl]propyl benzoate hydrochloride Traditional Name: benzoic acid 3-[2-(4-phenylbutyl)piperidino]propyl ester hydrochloride Formula: C25H34ClNO2 MolecularWeight: 415.99596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCCCC2=CC=CC=C2)CCCOC(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

C1CCN(C(C1)CCCCC2=CC=CC=C2)CCCOC(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C25H33NO2.ClH/c27-25(23-15-5-2-6-16-23)28-21-11-20-26-19-10-9-18-24(26)17-8-7-14-22-12-3-1-4-13-22;/h1-6,12-13,15-16,24H,7-11,14,17-21H2;1H