6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-7-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-quinolin-4-one

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-7-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-quinolin-4-one Openeye Name: 6,8-difluoro-1-(2-fluoroethyl)-7-methoxy-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)quinolin-4-one CAS Name: 6,8-difluoro-1-(2-fluoroethyl)-7-methoxy-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-4-quinolinone IUPAC Name: 6,8-difluoro-1-(2-fluoroethyl)-7-methoxy-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)quinolin-4-one Traditional Name: 6,8-difluoro-1-(2-fluoroethyl)-7-methoxy-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4-quinolone Formula: C22H22F3N4O3+ MolecularWeight: 447.43029

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1F)N(C=C(C2=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)CCF)F

Isomeric SMILES

COC1=C(C=C2C(=C1F)N(C=C(C2=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)CCF)F

InChI

InChI=1S/C22H21F3N4O3/c1-32-21-16(24)12-14-19(18(21)25)29(7-5-23)13-15(20(14)30)22(31)28-10-8-27(9-11-28)17-4-2-3-6-26-17/h2-4,6,12-13H,5,7-11H2,1H3/p+1