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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H22F3N3/c1-15-19(18-7-2-3-8-20(18)25-15)14-26-9-11-27(12-10-26)17-6-4-5-16(13-17)21(22,23)24/h2-8,13,25H,9-12,14H2,1H3/p+1