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

Systemtic Name: ethyl 6-fluoranyl-7-(4-methylpiperazine-1,4-diium-1-yl)-8-methylsulfanyl-4-oxidanylidene-1H-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-fluoro-7-(4-methylpiperazine-1,4-diium-1-yl)-8-methylsulfanyl-4-oxo-1H-quinolin-1-ium-3-carboxylate CAS Name: 6-fluoro-7-(4-methyl-1-piperazine-1,4-diiumyl)-8-(methylthio)-4-oxo-1H-quinolin-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-7-(4-methylpiperazine-1,4-diium-1-yl)-8-methylsulfanyl-4-oxo-1H-quinolin-1-ium-3-carboxylate Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazine-1,4-diium-1-yl)-8-(methylthio)-1H-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H25FN3O3S+3 MolecularWeight: 382.472803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH2+]C2=C(C(=C(C=C2C1=O)F)[NH+]3CC[NH+](CC3)C)SC

Isomeric SMILES

CCOC(=O)C1=C[NH2+]C2=C(C(=C(C=C2C1=O)F)[NH+]3CC[NH+](CC3)C)SC

InChI

InChI=1S/C18H22FN3O3S/c1-4-25-18(24)12-10-20-14-11(16(12)23)9-13(19)15(17(14)26-3)22-7-5-21(2)6-8-22/h9-10H,4-8H2,1-3H3,(H,20,23)/p+3