N-(2-ethyl-6-methyl-phenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-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:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3)C

InChI

InChI=1S/C23H26F3N5O/c1-3-16-6-4-5-15(2)22(16)27-21(32)14-30-11-9-18(10-12-30)31-20-8-7-17(23(24,25)26)13-19(20)28-29-31/h4-8,13,18H,3,9-12,14H2,1-2H3,(H,27,32)/p+1