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

Systemtic Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(4-ethylphenyl)thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(4-ethylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(4-ethylphenyl)thiazol-4-yl]methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H16N2O3S/c1-2-13-3-5-14(6-4-13)17-19-16(12-24-17)11-23-18(21)15-7-9-20(22)10-8-15/h3-10,12H,2,11H2,1H3