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

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethanone Formula: C22H23F3N3O+ MolecularWeight: 402.43273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3N3O/c1-15-21(18-7-2-3-8-19(18)26-15)20(29)14-27-9-11-28(12-10-27)17-6-4-5-16(13-17)22(23,24)25/h2-8,13,26H,9-12,14H2,1H3/p+1