N-tert-butyl-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-methyl-5-(trifluoromethyl)-1-benzimidazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-ium-1-yl]acetamide Formula: C20H28F3N4O+ MolecularWeight: 397.45773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3CC[NH+](CC3)CC(=O)NC(C)(C)C)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1=NC2=C(N1C3CC[NH+](CC3)CC(=O)NC(C)(C)C)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C20H27F3N4O/c1-13-24-16-11-14(20(21,22)23)5-6-17(16)27(13)15-7-9-26(10-8-15)12-18(28)25-19(2,3)4/h5-6,11,15H,7-10,12H2,1-4H3,(H,25,28)/p+1