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

Systemtic Name: phenyl-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]methanone Openeye Name: phenyl-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]methanone CAS Name: phenyl-[4-[2-(trifluoromethyl)-4-quinolin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: phenyl-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]methanone Traditional Name: phenyl-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazino]methanone Formula: C21H19F3N3O+ MolecularWeight: 386.39027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3O/c22-21(23,24)19-14-18(16-8-4-5-9-17(16)25-19)26-10-12-27(13-11-26)20(28)15-6-2-1-3-7-15/h1-9,14H,10-13H2/p+1