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

Systemtic Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(4-chlorophenyl)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(4-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(4-chlorophenyl)thiazol-4-yl]methyl ester Formula: C16H11ClN2O3S MolecularWeight: 346.78814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-])Cl

InChI

InChI=1S/C16H11ClN2O3S/c17-13-3-1-11(2-4-13)15-18-14(10-23-15)9-22-16(20)12-5-7-19(21)8-6-12/h1-8,10H,9H2