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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-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-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-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=[N+](C=C3)[O-])OC

Isomeric SMILES

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

InChI

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