[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C17H15N3O3S/c1-12-2-4-14(5-3-12)18-17-19-15(11-24-17)10-23-16(21)13-6-8-20(22)9-7-13/h2-9,11H,10H2,1H3,(H,18,19)