N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Formula: C22H24F3N6O2+ MolecularWeight: 461.46017

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3

InChI

InChI=1S/C22H23F3N6O2/c1-14(32)26-16-3-5-17(6-4-16)27-21(33)13-30-10-8-18(9-11-30)31-20-7-2-15(22(23,24)25)12-19(20)28-29-31/h2-7,12,18H,8-11,13H2,1H3,(H,26,32)(H,27,33)/p+1