1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-yl]piperazin-4-ium CAS Name: 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-phenyl-4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-yl]piperazin-4-ium Traditional Name: 1-phenyl-4-[1-[2-(trifluoromethyl)benzyl]piperidin-1-ium-4-yl]piperazin-4-ium Formula: C23H30F3N3+2 MolecularWeight: 405.49961

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H28F3N3/c24-23(25,26)22-9-5-4-6-19(22)18-27-12-10-21(11-13-27)29-16-14-28(15-17-29)20-7-2-1-3-8-20/h1-9,21H,10-18H2/p+2