(1-methylimidazol-2-yl)sulfanylmethyl 1-oxidanidylquinolin-1-ium-3-carboxylate

Systemtic Name: (1-methylimidazol-2-yl)sulfanylmethyl 1-oxidanidylquinolin-1-ium-3-carboxylate Openeye Name: (1-methylimidazol-2-yl)sulfanylmethyl 1-oxidoquinolin-1-ium-3-carboxylate CAS Name: 1-oxido-3-quinolin-1-iumcarboxylic acid [(1-methyl-2-imidazolyl)thio]methyl ester IUPAC Name: (1-methylimidazol-2-yl)sulfanylmethyl 1-oxidoquinolin-1-ium-3-carboxylate Traditional Name: 1-oxidoquinolin-1-ium-3-carboxylic acid [(1-methylimidazol-2-yl)thio]methyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCOC(=O)C2=CC3=CC=CC=C3[N+](=C2)[O-]

Isomeric SMILES

CN1C=CN=C1SCOC(=O)C2=CC3=CC=CC=C3[N+](=C2)[O-]

InChI

InChI=1S/C15H13N3O3S/c1-17-7-6-16-15(17)22-10-21-14(19)12-8-11-4-2-3-5-13(11)18(20)9-12/h2-9H,10H2,1H3