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

Systemtic Name: N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(m-tolyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(m-tolyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Formula: C21H23F3N5O+ MolecularWeight: 418.43543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3

InChI

InChI=1S/C21H22F3N5O/c1-14-3-2-4-16(11-14)25-20(30)13-28-9-7-17(8-10-28)29-19-6-5-15(21(22,23)24)12-18(19)26-27-29/h2-6,11-12,17H,7-10,13H2,1H3,(H,25,30)/p+1