2-phenyl-1-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-phenyl-1-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]ethanone Openeye Name: 2-phenyl-1-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]ethanone CAS Name: 2-phenyl-1-[4-[2-(trifluoromethyl)-4-quinolin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 2-phenyl-1-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]ethanone Traditional Name: 2-phenyl-1-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazino]ethanone Formula: C22H21F3N3O+ MolecularWeight: 400.41685

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H20F3N3O/c23-22(24,25)20-15-19(17-8-4-5-9-18(17)26-20)27-10-12-28(13-11-27)21(29)14-16-6-2-1-3-7-16/h1-9,15H,10-14H2/p+1