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

Systemtic Name: 4-methyl-1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperidin-1-ium Openeye Name: 4-methyl-1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperidin-1-ium CAS Name: 4-methyl-1-[[1-[2-(trifluoromethyl)phenyl]-2-pyrrolyl]methyl]piperidin-1-ium IUPAC Name: 4-methyl-1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperidin-1-ium Traditional Name: 4-methyl-1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperidin-1-ium Formula: C18H22F3N2+ MolecularWeight: 323.37589

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=CN2C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=CN2C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H21F3N2/c1-14-8-11-22(12-9-14)13-15-5-4-10-23(15)17-7-3-2-6-16(17)18(19,20)21/h2-7,10,14H,8-9,11-13H2,1H3/p+1