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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H14N2O3S/c1-12-5-7-13(8-6-12)16-18-14(11-23-16)10-22-17(20)15-4-2-3-9-19(15)21/h2-9,11H,10H2,1H3