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

Systemtic Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(4-methoxyphenyl)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(4-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(4-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C17H14N2O4S/c1-22-15-4-2-12(3-5-15)16-18-14(11-24-16)10-23-17(20)13-6-8-19(21)9-7-13/h2-9,11H,10H2,1H3