2-methyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzimidazole

Systemtic Name: 2-methyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzimidazole Openeye Name: 2-methyl-1-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzimidazole CAS Name: 2-methyl-1-[1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-5-(trifluoromethyl)benzimidazole IUPAC Name: 2-methyl-1-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzimidazole Traditional Name: 2-methyl-1-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-5-(trifluoromethyl)benzimidazole Formula: C24H25F3N5+ MolecularWeight: 440.48401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1=NC2=C(N1C3CC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C24H24F3N5/c1-17-29-21-15-18(24(25,26)27)7-8-22(21)32(17)19-9-13-30(14-10-19)16-20-5-4-12-31(20)23-6-2-3-11-28-23/h2-8,11-12,15,19H,9-10,13-14,16H2,1H3/p+1