1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenyl)-N-pyridazin-1-ium-1-yl-ethanimine hexafluorophosphate

Systemtic Name: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenyl)-N-pyridazin-1-ium-1-yl-ethanimine hexafluorophosphate Openeye Name: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenyl)-N-pyridazin-1-ium-1-yl-ethanimine hexafluorophosphate CAS Name: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenyl)-N-(1-pyridazin-1-iumyl)ethanimine hexafluorophosphate IUPAC Name: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenyl)-N-pyridazin-1-ium-1-ylethanimine hexafluorophosphate Traditional Name: (Z)-[2-(4-mesylphenyl)-1-p-phenetyl-ethylidene]-pyridazin-1-ium-1-yl-amine hexafluorophosphate Formula: C21H22F6N3O3PS MolecularWeight: 541.44686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=N[N+]2=CC=CC=N2)CC3=CC=C(C=C3)S(=O)(=O)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)/C(=N\[N+]2=CC=CC=N2)/CC3=CC=C(C=C3)S(=O)(=O)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C21H22N3O3S.F6P/c1-3-27-19-10-8-18(9-11-19)21(23-24-15-5-4-14-22-24)16-17-6-12-20(13-7-17)28(2,25)26;1-7(2,3,4,5)6/h4-15H,3,16H2,1-2H3;/q+1;-1/b23-21-;