N-(cyanomethyl)-1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(cyanomethyl)-1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(cyanomethyl)-1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxamide CAS Name: N-(cyanomethyl)-1-cyclopropyl-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(cyanomethyl)-1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide Traditional Name: N-(cyanomethyl)-1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-keto-quinoline-3-carboxamide Formula: C21H25FN5O2+ MolecularWeight: 398.453903

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC#N)C4CC4)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC#N)C4CC4)F

InChI

InChI=1S/C21H24FN5O2/c1-2-25-7-9-26(10-8-25)19-12-18-15(11-17(19)22)20(28)16(21(29)24-6-5-23)13-27(18)14-3-4-14/h11-14H,2-4,6-10H2,1H3,(H,24,29)/p+1