7-[4-(2-cyanoethyl)-3-methyl-4-oxidanidyl-piperazin-4-ium-1-yl]-1-cyclopropyl-6-fluoranyl-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2-cyanoethyl)-3-methyl-4-oxidanidyl-piperazin-4-ium-1-yl]-1-cyclopropyl-6-fluoranyl-5-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-cyanoethyl)-3-methyl-4-oxido-piperazin-4-ium-1-yl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-cyanoethyl)-3-methyl-4-oxido-1-piperazin-4-iumyl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-cyanoethyl)-3-methyl-4-oxidopiperazin-4-ium-1-yl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-cyanoethyl)-3-methyl-4-oxido-piperazin-4-ium-1-yl]-1-cyclopropyl-6-fluoro-4-keto-5-methyl-quinoline-3-carboxylic acid Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[N+]1(CCC#N)[O-])C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C)F

Isomeric SMILES

CC1CN(CC[N+]1(CCC#N)[O-])C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C)F

InChI

InChI=1S/C22H25FN4O4/c1-13-11-25(7-9-27(13,31)8-3-6-24)18-10-17-19(14(2)20(18)23)21(28)16(22(29)30)12-26(17)15-4-5-15/h10,12-13,15H,3-5,7-9,11H2,1-2H3,(H,29,30)