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

Systemtic Name: 1-phenyl-4-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-phenyl-4-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-phenyl-4-[[1-[2-(trifluoromethyl)phenyl]-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-phenyl-4-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-phenyl-4-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperazin-4-ium Formula: C22H23F3N3+ MolecularWeight: 386.43333

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C22H22F3N3/c23-22(24,25)20-10-4-5-11-21(20)28-12-6-9-19(28)17-26-13-15-27(16-14-26)18-7-2-1-3-8-18/h1-12H,13-17H2/p+1