ethyl (3E)-3-(4-methylphenyl)sulfonylimino-2-(4-methylpyridin-1-ium-1-yl)propanoate

Systemtic Name: ethyl (3E)-3-(4-methylphenyl)sulfonylimino-2-(4-methylpyridin-1-ium-1-yl)propanoate Openeye Name: ethyl (3E)-2-(4-methylpyridin-1-ium-1-yl)-3-(p-tolylsulfonylimino)propanoate CAS Name: (3E)-3-(4-methylphenyl)sulfonylimino-2-(4-methyl-1-pyridin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (3E)-3-(4-methylphenyl)sulfonylimino-2-(4-methylpyridin-1-ium-1-yl)propanoate Traditional Name: (3E)-2-(4-methylpyridin-1-ium-1-yl)-3-tosylimino-propionic acid ethyl ester Formula: C18H21N2O4S+ MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NS(=O)(=O)C1=CC=C(C=C1)C)[N+]2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(/C=N/S(=O)(=O)C1=CC=C(C=C1)C)[N+]2=CC=C(C=C2)C

InChI

InChI=1S/C18H21N2O4S/c1-4-24-18(21)17(20-11-9-15(3)10-12-20)13-19-25(22,23)16-7-5-14(2)6-8-16/h5-13,17H,4H2,1-3H3/q+1/b19-13+