2-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-oxidanidyl-quinolin-1-ium-3-carboxylate

Systemtic Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-oxidanidyl-quinolin-1-ium-3-carboxylate Openeye Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-oxido-quinolin-1-ium-3-carboxylate CAS Name: 2-[[(1-methyl-2-imidazolyl)thio]methyl]-1-oxido-3-quinolin-1-iumcarboxylate IUPAC Name: 2-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-oxidoquinolin-1-ium-3-carboxylate Traditional Name: 2-[[(1-methylimidazol-2-yl)thio]methyl]-1-oxido-quinolin-1-ium-3-carboxylate Formula: C15H12N3O3S- MolecularWeight: 314.33908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=[N+](C3=CC=CC=C3C=C2C(=O)[O-])[O-]

Isomeric SMILES

CN1C=CN=C1SCC2=[N+](C3=CC=CC=C3C=C2C(=O)[O-])[O-]

InChI

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