[1-(phenylmethyl)piperidin-4-yl] 2,4-dimethylbenzoate hydrochloride

Systemtic Name: [1-(phenylmethyl)piperidin-4-yl] 2,4-dimethylbenzoate hydrochloride Openeye Name: (1-benzyl-4-piperidyl) 2,4-dimethylbenzoate hydrochloride CAS Name: 2,4-dimethylbenzoic acid [1-(phenylmethyl)-4-piperidinyl] ester hydrochloride IUPAC Name: (1-benzylpiperidin-4-yl) 2,4-dimethylbenzoate hydrochloride Traditional Name: 2,4-dimethylbenzoic acid (1-benzyl-4-piperidyl) ester hydrochloride Formula: C21H26ClNO2 MolecularWeight: 359.88964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC2CCN(CC2)CC3=CC=CC=C3)C.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OC2CCN(CC2)CC3=CC=CC=C3)C.Cl

InChI

InChI=1S/C21H25NO2.ClH/c1-16-8-9-20(17(2)14-16)21(23)24-19-10-12-22(13-11-19)15-18-6-4-3-5-7-18;/h3-9,14,19H,10-13,15H2,1-2H3;1H