1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]-4-phenyl-piperazin-1-ium Formula: C24H27F3N3+ MolecularWeight: 414.48649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H26F3N3/c1-18-15-20(17-28-11-13-29(14-12-28)22-8-4-3-5-9-22)19(2)30(18)23-10-6-7-21(16-23)24(25,26)27/h3-10,15-16H,11-14,17H2,1-2H3/p+1