1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-(2-fluorophenyl)-2-pyrrolyl]methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C22H25FN3+ MolecularWeight: 350.452403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3F)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3F)CC4=CC=CC=C4

InChI

InChI=1S/C22H24FN3/c23-21-10-4-5-11-22(21)26-12-6-9-20(26)18-25-15-13-24(14-16-25)17-19-7-2-1-3-8-19/h1-12H,13-18H2/p+1