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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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