azanium 4-[4-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: azanium 4-[4-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: ammonium 4-[4-[bis(4-dimethylaminophenyl)-hydroxy-methyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: ammonium 4-[4-[bis(4-dimethylaminophenyl)-hydroxymethyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: azanium 4-[4-[bis(4-dimethylaminophenyl)-hydroxymethyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: ammonium 4-[4-[bis(4-dimethylaminophenyl)-hydroxy-methyl]-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C27H33N5O5S MolecularWeight: 539.64642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O)C4=CC=C(C=C4)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CC1=NN(C(=O)C1C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O)C4=CC=C(C=C4)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C27H30N4O5S.H3N/c1-18-25(26(32)31(28-18)23-14-16-24(17-15-23)37(34,35)36)27(33,19-6-10-21(11-7-19)29(2)3)20-8-12-22(13-9-20)30(4)5;/h6-17,25,33H,1-5H3,(H,34,35,36);1H3