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

Systemtic Name: 8-chloranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-chloro-2-(trifluoromethyl)quinolin-1-ium CAS Name: 8-chloro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-chloro-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-chloro-2-(trifluoromethyl)quinolin-1-ium Formula: C21H21ClF3N3+2 MolecularWeight: 407.85975

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=[NH+]C4=C3C=CC=C4Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC(=[NH+]C4=C3C=CC=C4Cl)C(F)(F)F

InChI

InChI=1S/C21H19ClF3N3/c22-17-8-4-7-16-18(13-19(21(23,24)25)26-20(16)17)28-11-9-27(10-12-28)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+2