6-fluoranyl-7-(4-methylpiperazine-1,4-diium-1-yl)-8-methylsulfanyl-4-oxidanylidene-1H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazine-1,4-diium-1-yl)-8-methylsulfanyl-4-oxidanylidene-1H-quinolin-1-ium-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazine-1,4-diium-1-yl)-8-methylsulfanyl-4-oxo-1H-quinolin-1-ium-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazine-1,4-diiumyl)-8-(methylthio)-4-oxo-1H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 6-fluoro-7-(4-methylpiperazine-1,4-diium-1-yl)-8-methylsulfanyl-4-oxo-1H-quinolin-1-ium-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazine-1,4-diium-1-yl)-8-(methylthio)-1H-quinolin-1-ium-3-carboxylic acid Formula: C16H21FN3O3S+3 MolecularWeight: 354.419643

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2=C(C=C3C(=C2SC)[NH2+]C=C(C3=O)C(=O)O)F

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C2=C(C=C3C(=C2SC)[NH2+]C=C(C3=O)C(=O)O)F

InChI

InChI=1S/C16H18FN3O3S/c1-19-3-5-20(6-4-19)13-11(17)7-9-12(15(13)24-2)18-8-10(14(9)21)16(22)23/h7-8H,3-6H2,1-2H3,(H,18,21)(H,22,23)/p+3