1-methyl-4-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperazin-1-ium Openeye Name: 1-methyl-4-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperazin-1-ium CAS Name: 1-methyl-4-[[1-[2-(trifluoromethyl)phenyl]-2-pyrrolyl]methyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperazin-1-ium Traditional Name: 1-methyl-4-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperazin-1-ium Formula: C17H21F3N3+ MolecularWeight: 324.36395

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=CN2C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=CN2C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H20F3N3/c1-21-9-11-22(12-10-21)13-14-5-4-8-23(14)16-7-3-2-6-15(16)17(18,19)20/h2-8H,9-13H2,1H3/p+1