[4-(2-methylpropyl)-4-oxidanidyl-piperazin-4-ium-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone

Systemtic Name: [4-(2-methylpropyl)-4-oxidanidyl-piperazin-4-ium-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone Openeye Name: (4-isobutyl-4-oxido-piperazin-4-ium-1-yl)-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]methanone CAS Name: [4-(2-methylpropyl)-4-oxido-1-piperazin-4-iumyl]-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]phenyl]methanone IUPAC Name: [4-(2-methylpropyl)-4-oxidopiperazin-4-ium-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone Traditional Name: (4-isobutyl-4-oxido-piperazin-4-ium-1-yl)-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]methanone Formula: C25H27F3N4O2 MolecularWeight: 472.50269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1(CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)[O-]

Isomeric SMILES

CC(C)C[N+]1(CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)[O-]

InChI

InChI=1S/C25H27F3N4O2/c1-17(2)16-32(34)13-11-31(12-14-32)24(33)18-3-6-20(7-4-18)30-22-9-10-29-23-15-19(25(26,27)28)5-8-21(22)23/h3-10,15,17H,11-14,16H2,1-2H3,(H,29,30)