8-[bis(fluoranyl)methoxy]-1-ethyl-6-fluoranyl-1-(3-methyl-4-pyrimidin-2-yl-piperazin-1-yl)-4-oxidanylidene-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-ethyl-6-fluoranyl-1-(3-methyl-4-pyrimidin-2-yl-piperazin-1-yl)-4-oxidanylidene-quinolin-1-ium-3-carboxylic acid Openeye Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-1-(3-methyl-4-pyrimidin-2-yl-piperazin-1-yl)-4-oxo-quinolin-1-ium-3-carboxylic acid CAS Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-1-[3-methyl-4-(2-pyrimidinyl)-1-piperazinyl]-4-oxo-3-quinolin-1-iumcarboxylic acid IUPAC Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-1-(3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)-4-oxoquinolin-1-ium-3-carboxylic acid Traditional Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-keto-1-[3-methyl-4-(2-pyrimidyl)piperazino]quinolin-1-ium-3-carboxylic acid Formula: C22H23F3N5O4+ MolecularWeight: 478.44433

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C(=O)C2=CC(=CC(=C21)OC(F)F)F)C(=O)O)N3CCN(C(C3)C)C4=NC=CC=N4

Isomeric SMILES

CC[N+]1(C=C(C(=O)C2=CC(=CC(=C21)OC(F)F)F)C(=O)O)N3CCN(C(C3)C)C4=NC=CC=N4

InChI

InChI=1S/C22H22F3N5O4/c1-3-30(28-7-8-29(13(2)11-28)22-26-5-4-6-27-22)12-16(20(32)33)19(31)15-9-14(23)10-17(18(15)30)34-21(24)25/h4-6,9-10,12-13,21H,3,7-8,11H2,1-2H3/p+1