N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-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-piperonyl-quinoline-3-carboxamide Formula: C25H28FN4O4+ MolecularWeight: 467.512623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27FN4O4/c1-3-29-14-18(25(32)27-13-16-4-5-22-23(10-16)34-15-33-22)24(31)17-11-19(26)21(12-20(17)29)30-8-6-28(2)7-9-30/h4-5,10-12,14H,3,6-9,13,15H2,1-2H3,(H,27,32)/p+1