3-[dimethyl(oxidanidylcarbothioyl)azaniumyl]-4H-quinoline-3-carboxylate

Systemtic Name: 3-[dimethyl(oxidanidylcarbothioyl)azaniumyl]-4H-quinoline-3-carboxylate Openeye Name: 3-[dimethyl(oxidocarbothioyl)ammonio]-4H-quinoline-3-carboxylate CAS Name: 3-[dimethyl-[oxido(sulfanylidene)methyl]ammonio]-4H-quinoline-3-carboxylate IUPAC Name: 3-[dimethyl(oxidocarbothioyl)azaniumyl]-4H-quinoline-3-carboxylate Traditional Name: 3-[dimethyl(thiocarboxylato)ammonio]-4H-quinoline-3-carboxylate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C(=S)[O-])C1(CC2=CC=CC=C2N=C1)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C(=S)[O-])C1(CC2=CC=CC=C2N=C1)C(=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c1-15(2,12(18)19)13(11(16)17)7-9-5-3-4-6-10(9)14-8-13/h3-6,8H,7H2,1-2H3,(H-,16,17,18,19)/p-1