N-(2-methyl-3H-benzimidazol-5-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-3H-benzimidazol-5-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methyl-3H-benzimidazol-5-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-methyl-3H-benzimidazol-5-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-3H-benzimidazol-5-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-methyl-3H-benzimidazol-5-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Formula: C22H23F3N7O+ MolecularWeight: 458.45953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C=C2)NC(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)C(F)(F)F)N=N4

Isomeric SMILES

CC1=NC2=C(N1)C=C(C=C2)NC(=O)C[NH+]3CCC(CC3)N4C5=C(C=C(C=C5)C(F)(F)F)N=N4

InChI

InChI=1S/C22H22F3N7O/c1-13-26-17-4-3-15(11-18(17)27-13)28-21(33)12-31-8-6-16(7-9-31)32-20-5-2-14(22(23,24)25)10-19(20)29-30-32/h2-5,10-11,16H,6-9,12H2,1H3,(H,26,27)(H,28,33)/p+1