methyl 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]benzoic acid methyl ester Formula: C16H16NO2+ MolecularWeight: 254.30374

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H16NO2/c1-17-11-9-14(10-12-17)4-3-13-5-7-15(8-6-13)16(18)19-2/h3-12H,1-2H3/q+1/b4-3+