2-[[1-(phenylmethyl)piperidin-4-yl]methyl]propanedioate hydrochloride

Systemtic Name: 2-[[1-(phenylmethyl)piperidin-4-yl]methyl]propanedioate hydrochloride Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]propanedioate hydrochloride CAS Name: 2-[[1-(phenylmethyl)-4-piperidinyl]methyl]propanedioate hydrochloride IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]propanedioate hydrochloride Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]malonate hydrochloride Formula: C16H20ClNO4-2 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2.Cl

Isomeric SMILES

C1CN(CCC1CC(C(=O)[O-])C(=O)[O-])CC2=CC=CC=C2.Cl

InChI

InChI=1S/C16H21NO4.ClH/c18-15(19)14(16(20)21)10-12-6-8-17(9-7-12)11-13-4-2-1-3-5-13;/h1-5,12,14H,6-11H2,(H,18,19)(H,20,21);1H/p-2