N-[(2R)-butan-2-yl]-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[(2R)-butan-2-yl]-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-N-[(1R)-1-methylpropyl]-4-oxo-quinoline-3-carboxamide CAS Name: N-[(2R)-butan-2-yl]-1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(2R)-butan-2-yl]-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazin-4-ium-1-yl)-N-[(1R)-1-methylpropyl]quinoline-3-carboxamide Formula: C21H30FN4O2+ MolecularWeight: 389.486903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CC[NH+](CC3)C)CC

Isomeric SMILES

CC[C@@H](C)NC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CC[NH+](CC3)C)CC

InChI

InChI=1S/C21H29FN4O2/c1-5-14(3)23-21(28)16-13-25(6-2)18-12-19(17(22)11-15(18)20(16)27)26-9-7-24(4)8-10-26/h11-14H,5-10H2,1-4H3,(H,23,28)/p+1/t14-/m1/s1