methyl (E)-3-[1-(phenylmethyl)pyridin-1-ium-3-yl]prop-2-enoate chloride

Systemtic Name: methyl (E)-3-[1-(phenylmethyl)pyridin-1-ium-3-yl]prop-2-enoate chloride Openeye Name: methyl (E)-3-(1-benzylpyridin-1-ium-3-yl)prop-2-enoate chloride CAS Name: (E)-3-[1-(phenylmethyl)-3-pyridin-1-iumyl]-2-propenoic acid methyl ester chloride IUPAC Name: methyl (E)-3-(1-benzylpyridin-1-ium-3-yl)prop-2-enoate chloride Traditional Name: (E)-3-(1-benzylpyridin-1-ium-3-yl)acrylic acid methyl ester chloride Formula: C16H16ClNO2 MolecularWeight: 289.75674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C[N+](=CC=C1)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

COC(=O)/C=C/C1=C[N+](=CC=C1)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H16NO2.ClH/c1-19-16(18)10-9-15-8-5-11-17(13-15)12-14-6-3-2-4-7-14;/h2-11,13H,12H2,1H3;1H/q+1;/p-1/b10-9+;