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

Systemtic Name: ethyl (3E)-3-(4-methylphenyl)sulfonylimino-2-pyridin-1-ium-1-yl-propanoate Openeye Name: ethyl (3E)-3-(p-tolylsulfonylimino)-2-pyridin-1-ium-1-yl-propanoate CAS Name: (3E)-3-(4-methylphenyl)sulfonylimino-2-(1-pyridin-1-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (3E)-3-(4-methylphenyl)sulfonylimino-2-pyridin-1-ium-1-ylpropanoate Traditional Name: (3E)-2-pyridin-1-ium-1-yl-3-tosylimino-propionic acid ethyl ester Formula: C17H19N2O4S+ MolecularWeight: 347.40876

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H19N2O4S/c1-3-23-17(20)16(19-11-5-4-6-12-19)13-18-24(21,22)15-9-7-14(2)8-10-15/h4-13,16H,3H2,1-2H3/q+1/b18-13+