[2-(piperidin-1-ylmethyl)-1-propan-2-yl-cyclohexyl] benzoate hydrochloride

Systemtic Name: [2-(piperidin-1-ylmethyl)-1-propan-2-yl-cyclohexyl] benzoate hydrochloride Openeye Name: [1-isopropyl-2-(1-piperidylmethyl)cyclohexyl] benzoate hydrochloride CAS Name: benzoic acid [2-(1-piperidinylmethyl)-1-propan-2-ylcyclohexyl] ester hydrochloride IUPAC Name: [2-(piperidin-1-ylmethyl)-1-propan-2-ylcyclohexyl] benzoate hydrochloride Traditional Name: benzoic acid [1-isopropyl-2-(piperidinomethyl)cyclohexyl] ester hydrochloride Formula: C22H34ClNO2 MolecularWeight: 379.96386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCCCC1CN2CCCCC2)OC(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)C1(CCCCC1CN2CCCCC2)OC(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H33NO2.ClH/c1-18(2)22(25-21(24)19-11-5-3-6-12-19)14-8-7-13-20(22)17-23-15-9-4-10-16-23;/h3,5-6,11-12,18,20H,4,7-10,13-17H2,1-2H3;1H