1-[benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine; trifluoromethyl sulfite

Systemtic Name: 1-[benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine; trifluoromethyl sulfite Openeye Name: 1-[benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine; trifluoromethyl sulfite CAS Name: 1-[1-benzotriazolyl-(4-methoxyphenyl)methyl]-N,N-dimethyl-4-pyridin-1-iumamine; trifluoromethyl sulfite IUPAC Name: 1-[benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethylpyridin-1-ium-4-amine; trifluoromethyl sulfite Traditional Name: [1-[benzotriazol-1-yl-(4-methoxyphenyl)methyl]pyridin-1-ium-4-yl]-dimethyl-amine; trifluoromethyl sulfite Formula: C22H22F3N5O4S MolecularWeight: 509.50139

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(C2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=N3.C(OS(=O)[O-])(F)(F)F

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(C2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=N3.C(OS(=O)[O-])(F)(F)F

InChI

InChI=1S/C21H22N5O.CHF3O3S/c1-24(2)17-12-14-25(15-13-17)21(16-8-10-18(27-3)11-9-16)26-20-7-5-4-6-19(20)22-23-26;2-1(3,4)7-8(5)6/h4-15,21H,1-3H3;(H,5,6)/q+1;/p-1