(2-cyanophenyl)methyl-cyclohexyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]azanium

Systemtic Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-[(2-fluorophenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: (2-cyanobenzyl)-cyclohexyl-[[1-(2-fluorobenzyl)pyrrol-2-yl]methyl]ammonium Formula: C26H29FN3+ MolecularWeight: 402.526963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC2=CC=CC=C2C#N)CC3=CC=CN3CC4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)[NH+](CC2=CC=CC=C2C#N)CC3=CC=CN3CC4=CC=CC=C4F

InChI

InChI=1S/C26H28FN3/c27-26-15-7-6-11-23(26)19-29-16-8-14-25(29)20-30(24-12-2-1-3-13-24)18-22-10-5-4-9-21(22)17-28/h4-11,14-16,24H,1-3,12-13,18-20H2/p+1