[1-(phenylmethyl)piperidin-4-yl] 4-cyanobenzoate hydrochloride

Systemtic Name: [1-(phenylmethyl)piperidin-4-yl] 4-cyanobenzoate hydrochloride Openeye Name: (1-benzyl-4-piperidyl) 4-cyanobenzoate hydrochloride CAS Name: 4-cyanobenzoic acid [1-(phenylmethyl)-4-piperidinyl] ester hydrochloride IUPAC Name: (1-benzylpiperidin-4-yl) 4-cyanobenzoate hydrochloride Traditional Name: 4-cyanobenzoic acid (1-benzyl-4-piperidyl) ester hydrochloride Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)C2=CC=C(C=C2)C#N)CC3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCC1OC(=O)C2=CC=C(C=C2)C#N)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C20H20N2O2.ClH/c21-14-16-6-8-18(9-7-16)20(23)24-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17;/h1-9,19H,10-13,15H2;1H