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

Systemtic Name: N-(4-propan-2-ylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-propan-2-ylphenyl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-propan-2-ylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-p-cumenyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Formula: C23H27F3N5O+ MolecularWeight: 446.48859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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(C)C1=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/C23H26F3N5O/c1-15(2)16-3-6-18(7-4-16)27-22(32)14-30-11-9-19(10-12-30)31-21-8-5-17(23(24,25)26)13-20(21)28-29-31/h3-8,13,15,19H,9-12,14H2,1-2H3,(H,27,32)/p+1