3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-[2-(trifluoromethyl)benzyl]piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C21H23F3N3+ MolecularWeight: 374.42263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H22F3N3/c22-21(23,24)19-7-3-1-5-16(19)14-26-9-11-27(12-10-26)15-17-13-25-20-8-4-2-6-18(17)20/h1-8,13,25H,9-12,14-15H2/p+1