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

Systemtic Name: 8-chloranyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-chloro-2-(trifluoromethyl)quinolin-1-ium CAS Name: 8-chloro-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-chloro-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-chloro-2-(trifluoromethyl)quinolin-1-ium Formula: C27H25ClF3N3+2 MolecularWeight: 483.95571

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=[NH+]C5=C4C=CC=C5Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=[NH+]C5=C4C=CC=C5Cl)C(F)(F)F

InChI

InChI=1S/C27H23ClF3N3/c28-22-13-7-12-21-23(18-24(27(29,30)31)32-25(21)22)33-14-16-34(17-15-33)26(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,26H,14-17H2/p+2