methyl 2-cyano-2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanoate chloride

Systemtic Name: methyl 2-cyano-2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanoate chloride Openeye Name: methyl 2-(1-benzylpiperidin-1-ium-4-yl)-2-cyano-acetate chloride CAS Name: 2-cyano-2-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetic acid methyl ester chloride IUPAC Name: methyl 2-(1-benzylpiperidin-1-ium-4-yl)-2-cyanoacetate chloride Traditional Name: 2-(1-benzylpiperidin-1-ium-4-yl)-2-cyano-acetic acid methyl ester chloride Formula: C16H21ClN2O2 MolecularWeight: 308.80314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1CC[NH+](CC1)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

COC(=O)C(C#N)C1CC[NH+](CC1)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H20N2O2.ClH/c1-20-16(19)15(11-17)14-7-9-18(10-8-14)12-13-5-3-2-4-6-13;/h2-6,14-15H,7-10,12H2,1H3;1H