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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=[N+]3[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=CC=[N+]3[O-])OC

InChI

InChI=1S/C18H16N2O5S/c1-23-15-7-6-12(9-16(15)24-2)17-19-13(11-26-17)10-25-18(21)14-5-3-4-8-20(14)22/h3-9,11H,10H2,1-2H3