1H-indol-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1H-indol-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1H-indol-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1H-indol-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1H-indol-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1H-indol-3-yl-[4-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]methanone Formula: C21H21F3N3O+ MolecularWeight: 388.40615

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20F3N3O/c22-21(23,24)16-5-3-4-15(12-16)14-26-8-10-27(11-9-26)20(28)18-13-25-19-7-2-1-6-17(18)19/h1-7,12-13,25H,8-11,14H2/p+1