4-[dimethyl-(phenylmethyl)azaniumyl]-2-methylidene-butanoate chloride

Systemtic Name: 4-[dimethyl-(phenylmethyl)azaniumyl]-2-methylidene-butanoate chloride Openeye Name: 4-[benzyl(dimethyl)ammonio]-2-methylene-butanoate chloride CAS Name: 4-[dimethyl-(phenylmethyl)ammonio]-2-methylenebutanoate chloride IUPAC Name: 4-[benzyl(dimethyl)azaniumyl]-2-methylidenebutanoate chloride Traditional Name: 2-[2-[benzyl(dimethyl)ammonio]ethyl]acrylate chloride Formula: C14H19ClNO2- MolecularWeight: 268.75916

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC(=C)C(=O)[O-])CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

C[N+](C)(CCC(=C)C(=O)[O-])CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C14H19NO2.ClH/c1-12(14(16)17)9-10-15(2,3)11-13-7-5-4-6-8-13;/h4-8H,1,9-11H2,2-3H3;1H/p-1