(2-cyanophenyl)methyl-cyclohexyl-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]azanium

Systemtic Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: (2-cyanophenyl)methyl-cyclohexyl-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: (2-cyanobenzyl)-cyclohexyl-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]ammonium Formula: C26H29FN3+ MolecularWeight: 402.526963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC2=CC=CC=C2C#N)CC3=CC=CN3CC4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)[NH+](CC2=CC=CC=C2C#N)CC3=CC=CN3CC4=CC(=CC=C4)F

InChI

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