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

Systemtic Name: 1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]azepan-1-ium CAS Name: 1-[[1-[2-(trifluoromethyl)phenyl]-2-pyrrolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]azepan-1-ium Formula: C18H22F3N2+ MolecularWeight: 323.37589

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CN2C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CN2C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H21F3N2/c19-18(20,21)16-9-3-4-10-17(16)23-13-7-8-15(23)14-22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12,14H2/p+1