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

Systemtic Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C20H21F3N3+ MolecularWeight: 360.39605

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H20F3N3/c21-20(22,23)16-4-3-5-17(12-16)26-10-8-25(9-11-26)14-15-13-24-19-7-2-1-6-18(15)19/h1-7,12-13,24H,8-11,14H2/p+1