6-cyano-4-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-(4-methoxyphenyl)pyridazin-1-ium-3-sulfonic acid ethanoate

Systemtic Name: 6-cyano-4-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-(4-methoxyphenyl)pyridazin-1-ium-3-sulfonic acid ethanoate Openeye Name: 6-cyano-4-[(E)-2-(4-dimethylaminophenyl)vinyl]-1-(4-methoxyphenyl)pyridazin-1-ium-3-sulfonic acid acetate CAS Name: 6-cyano-4-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-(4-methoxyphenyl)-3-pyridazin-1-iumsulfonic acid acetate IUPAC Name: 6-cyano-4-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1-(4-methoxyphenyl)pyridazin-1-ium-3-sulfonic acid acetate Traditional Name: 6-cyano-4-[(E)-2-(4-dimethylaminophenyl)vinyl]-1-(4-methoxyphenyl)pyridazin-1-ium-3-sulfonic acid acetate Formula: C24H24N4O6S MolecularWeight: 496.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN(C)C1=CC=C(C=C1)C=CC2=C(N=[N+](C(=C2)C#N)C3=CC=C(C=C3)OC)S(=O)(=O)O

Isomeric SMILES

CC(=O)[O-].CN(C)C1=CC=C(C=C1)/C=C/C2=C(N=[N+](C(=C2)C#N)C3=CC=C(C=C3)OC)S(=O)(=O)O

InChI

InChI=1S/C22H20N4O4S.C2H4O2/c1-25(2)18-8-5-16(6-9-18)4-7-17-14-20(15-23)26(24-22(17)31(27,28)29)19-10-12-21(30-3)13-11-19;1-2(3)4/h4-14H,1-3H3;1H3,(H,3,4)