1-(2-adamantyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium

Systemtic Name: 1-(2-adamantyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Openeye Name: 1-(2-adamantyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium CAS Name: 1-(2-adamantyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-(2-adamantyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Traditional Name: 1-(2-adamantyl)-4-[2-(trifluoromethyl)benzyl]piperazine-1,4-diium Formula: C22H31F3N2+2 MolecularWeight: 380.49015

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2C(F)(F)F)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2C(F)(F)F)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H29F3N2/c23-22(24,25)20-4-2-1-3-17(20)14-26-5-7-27(8-6-26)21-18-10-15-9-16(12-18)13-19(21)11-15/h1-4,15-16,18-19,21H,5-14H2/p+2