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

Systemtic Name: methyl 2-[1-(phenylmethyl)piperidin-1-ium-4-ylidene]ethanoate chloride Openeye Name: methyl 2-(1-benzylpiperidin-1-ium-4-ylidene)acetate chloride CAS Name: 2-[1-(phenylmethyl)-4-piperidin-1-iumylidene]acetic acid methyl ester chloride IUPAC Name: methyl 2-(1-benzylpiperidin-1-ium-4-ylidene)acetate chloride Traditional Name: 2-(1-benzylpiperidin-1-ium-4-ylidene)acetic acid methyl ester chloride Formula: C15H20ClNO2 MolecularWeight: 281.7778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO2.ClH/c1-18-15(17)11-13-7-9-16(10-8-13)12-14-5-3-2-4-6-14;/h2-6,11H,7-10,12H2,1H3;1H