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

Systemtic Name: butyl-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: butyl-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: butyl-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: butyl-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: butyl-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]ammonium Formula: C16H22FN2+ MolecularWeight: 261.357683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=CC=CN1CC2=CC(=CC=C2)F

Isomeric SMILES

CCCC[NH2+]CC1=CC=CN1CC2=CC(=CC=C2)F

InChI

InChI=1S/C16H21FN2/c1-2-3-9-18-12-16-8-5-10-19(16)13-14-6-4-7-15(17)11-14/h4-8,10-11,18H,2-3,9,12-13H2,1H3/p+1