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

Systemtic Name: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenyl)-N-pyridazin-1-ium-1-yl-ethanimine Openeye Name: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenyl)-N-pyridazin-1-ium-1-yl-ethanimine CAS Name: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenyl)-N-(1-pyridazin-1-iumyl)ethanimine IUPAC Name: 1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenyl)-N-pyridazin-1-ium-1-ylethanimine Traditional Name: (Z)-[2-(4-mesylphenyl)-1-p-phenetyl-ethylidene]-pyridazin-1-ium-1-yl-amine Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N3O3S/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/h4-15H,3,16H2,1-2H3/q+1/b23-21-