2-[(3S)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-yl]-1H-benzimidazole

Systemtic Name: 2-[(3S)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 2-[(3S)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-yl]-1H-benzimidazole CAS Name: 2-[(3S)-1-[[3-(trifluoromethyl)phenyl]methyl]-3-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[(3S)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 2-[(3S)-1-[3-(trifluoromethyl)benzyl]piperidin-1-ium-3-yl]-1H-benzimidazole Formula: C20H21F3N3+ MolecularWeight: 360.39605

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)C(F)(F)F)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)C(F)(F)F)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H20F3N3/c21-20(22,23)16-7-3-5-14(11-16)12-26-10-4-6-15(13-26)19-24-17-8-1-2-9-18(17)25-19/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,24,25)/p+1/t15-/m0/s1