azanium 4-[(4E)-3-carboxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: azanium 4-[(4E)-3-carboxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: ammonium 4-[(4E)-3-carboxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: ammonium 4-[(4E)-3-carboxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: azanium 4-[(4E)-3-carboxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: ammonium 4-[(4E)-3-carboxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-keto-2-pyrazolin-1-yl]besylate Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)O.[NH4+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)O.[NH4+]

InChI

InChI=1S/C21H19N3O6S.H3N/c1-23(2)15-8-6-14(7-9-15)4-3-5-18-19(21(26)27)22-24(20(18)25)16-10-12-17(13-11-16)31(28,29)30;/h3-13H,1-2H3,(H,26,27)(H,28,29,30);1H3/b4-3+,18-5+;