ethyl 2-cyano-2-[1-(phenylmethyl)piperidin-1-ium-4-ylidene]ethanoate chloride

Systemtic Name: ethyl 2-cyano-2-[1-(phenylmethyl)piperidin-1-ium-4-ylidene]ethanoate chloride Openeye Name: ethyl 2-(1-benzylpiperidin-1-ium-4-ylidene)-2-cyano-acetate chloride CAS Name: 2-cyano-2-[1-(phenylmethyl)-4-piperidin-1-iumylidene]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-(1-benzylpiperidin-1-ium-4-ylidene)-2-cyanoacetate chloride Traditional Name: 2-(1-benzylpiperidin-1-ium-4-ylidene)-2-cyano-acetic acid ethyl ester chloride Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2.ClH/c1-2-21-17(20)16(12-18)15-8-10-19(11-9-15)13-14-6-4-3-5-7-14;/h3-7H,2,8-11,13H2,1H3;1H