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

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinolin-1-ium CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinolin-1-ium Formula: C21H22F3N3+2 MolecularWeight: 373.41469

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=[NH+]C4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=[NH+]C4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H20F3N3/c22-21(23,24)20-14-19(17-8-4-5-9-18(17)25-20)27-12-10-26(11-13-27)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2/p+2