1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]azepan-1-ium CAS Name: 1-[[1-(2-fluorophenyl)-2-pyrrolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]azepan-1-ium Formula: C17H22FN2+ MolecularWeight: 273.368383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CN2C3=CC=CC=C3F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CN2C3=CC=CC=C3F

InChI

InChI=1S/C17H21FN2/c18-16-9-3-4-10-17(16)20-13-7-8-15(20)14-19-11-5-1-2-6-12-19/h3-4,7-10,13H,1-2,5-6,11-12,14H2/p+1