[(2-carboxy-8-oxidanylidene-5,8a-dihydro-1H-quinolin-3-yl)-dimethyl-azaniumyl]methanedithioate

Systemtic Name: [(2-carboxy-8-oxidanylidene-5,8a-dihydro-1H-quinolin-3-yl)-dimethyl-azaniumyl]methanedithioate Openeye Name: [(2-carboxy-8-oxo-5,8a-dihydro-1H-quinolin-3-yl)-dimethyl-ammonio]methanedithioate CAS Name: [(2-carboxy-8-oxo-5,8a-dihydro-1H-quinolin-3-yl)-dimethylammonio]methanedithioate IUPAC Name: [(2-carboxy-8-oxo-5,8a-dihydro-1H-quinolin-3-yl)-dimethylazaniumyl]methanedithioate Traditional Name: [(2-carboxy-8-keto-5,8a-dihydro-1H-quinolin-3-yl)-dimethyl-ammonio]methanedithioate Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=C(NC2C(=C1)CC=CC2=O)C(=O)O)C(=S)[S-]

Isomeric SMILES

C[N+](C)(C1=C(NC2C(=C1)CC=CC2=O)C(=O)O)C(=S)[S-]

InChI

InChI=1S/C13H14N2O3S2/c1-15(2,13(19)20)8-6-7-4-3-5-9(16)10(7)14-11(8)12(17)18/h3,5-6,10,14H,4H2,1-2H3,(H-,17,18,19,20)