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

Systemtic Name: 1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]methyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]-4-ethylpiperazin-4-ium Traditional Name: 1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]-4-ethyl-piperazin-4-ium Formula: C20H27F3N3+ MolecularWeight: 366.44369

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C20H26F3N3/c1-4-24-8-10-25(11-9-24)14-17-12-15(2)26(16(17)3)19-7-5-6-18(13-19)20(21,22)23/h5-7,12-13H,4,8-11,14H2,1-3H3/p+1