(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=[N+](C=C3)[O-])Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=[N+](C=C3)[O-])Cl

InChI

InChI=1S/C17H13ClN2O3S/c1-24-14-3-2-12-8-13(16(18)19-15(12)9-14)10-23-17(21)11-4-6-20(22)7-5-11/h2-9H,10H2,1H3