[3-[3-fluoranyl-5-[[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]carbonylamino]phenyl]pyridin-1-ium-1-yl]methyl ethanoate chloride

Systemtic Name: [3-[3-fluoranyl-5-[[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]carbonylamino]phenyl]pyridin-1-ium-1-yl]methyl ethanoate chloride Openeye Name: [3-[3-fluoro-5-[[5-methoxy-6-(trifluoromethyl)indoline-1-carbonyl]amino]phenyl]pyridin-1-ium-1-yl]methyl acetate chloride CAS Name: acetic acid [3-[3-fluoro-5-[[[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-oxomethyl]amino]phenyl]-1-pyridin-1-iumyl]methyl ester chloride IUPAC Name: [3-[3-fluoro-5-[[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carbonyl]amino]phenyl]pyridin-1-ium-1-yl]methyl acetate chloride Traditional Name: acetic acid [3-[3-fluoro-5-[[5-methoxy-6-(trifluoromethyl)indoline-1-carbonyl]amino]phenyl]pyridin-1-ium-1-yl]methyl ester chloride Formula: C25H22ClF4N3O4 MolecularWeight: 539.906493

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC[N+]1=CC=CC(=C1)C2=CC(=CC(=C2)F)NC(=O)N3CCC4=CC(=C(C=C43)C(F)(F)F)OC.[Cl-]

Isomeric SMILES

CC(=O)OC[N+]1=CC=CC(=C1)C2=CC(=CC(=C2)F)NC(=O)N3CCC4=CC(=C(C=C43)C(F)(F)F)OC.[Cl-]

InChI

InChI=1S/C25H21F4N3O4.ClH/c1-15(33)36-14-31-6-3-4-17(13-31)18-8-19(26)11-20(9-18)30-24(34)32-7-5-16-10-23(35-2)21(12-22(16)32)25(27,28)29;/h3-4,6,8-13H,5,7,14H2,1-2H3;1H