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

Systemtic Name: 8-chloranyl-4-[4-(diphenylmethyl)piperidin-1-yl]-2-(trifluoromethyl)quinolin-1-ium Openeye Name: 4-(4-benzhydryl-1-piperidyl)-8-chloro-2-(trifluoromethyl)quinolin-1-ium CAS Name: 8-chloro-4-[4-(diphenylmethyl)-1-piperidinyl]-2-(trifluoromethyl)quinolin-1-ium IUPAC Name: 4-(4-benzhydrylpiperidin-1-yl)-8-chloro-2-(trifluoromethyl)quinolin-1-ium Traditional Name: 4-(4-benzhydrylpiperidino)-8-chloro-2-(trifluoromethyl)quinolin-1-ium Formula: C28H25ClF3N2+ MolecularWeight: 481.95971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=[NH+]C5=C4C=CC=C5Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=[NH+]C5=C4C=CC=C5Cl)C(F)(F)F

InChI

InChI=1S/C28H24ClF3N2/c29-23-13-7-12-22-24(18-25(28(30,31)32)33-27(22)23)34-16-14-21(15-17-34)26(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,21,26H,14-17H2/p+1