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

Systemtic Name: methyl (E)-3-[1-(phenylmethyl)pyridin-1-ium-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-(1-benzylpyridin-1-ium-3-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-3-pyridin-1-iumyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1-benzylpyridin-1-ium-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyridin-1-ium-3-yl)acrylic acid methyl ester Formula: C16H16NO2+ MolecularWeight: 254.30374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO2/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/q+1/b10-9+