1-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanone Openeye Name: 1-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanone CAS Name: 1-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanone Traditional Name: 1-(3-methoxyphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanone Formula: C21H22F3N4O2+ MolecularWeight: 419.42019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[NH+]2CCC(CC2)N3C4=C(C=C(C=C4)C(F)(F)F)N=N3

InChI

InChI=1S/C21H21F3N4O2/c1-30-17-4-2-3-14(11-17)20(29)13-27-9-7-16(8-10-27)28-19-6-5-15(21(22,23)24)12-18(19)25-26-28/h2-6,11-12,16H,7-10,13H2,1H3/p+1