[[4-(2-methanoylhydrazinyl)phenyl]amino] 3-[(2,5-dimethylpyridin-1-ium-1-yl)methyl]benzenesulfonate

Systemtic Name: [[4-(2-methanoylhydrazinyl)phenyl]amino] 3-[(2,5-dimethylpyridin-1-ium-1-yl)methyl]benzenesulfonate Openeye Name: [4-(2-formylhydrazino)anilino] 3-[(2,5-dimethylpyridin-1-ium-1-yl)methyl]benzenesulfonate CAS Name: 3-[(2,5-dimethyl-1-pyridin-1-iumyl)methyl]benzenesulfonic acid [4-(formylhydrazo)anilino] ester IUPAC Name: [4-(2-formylhydrazinyl)anilino] 3-[(2,5-dimethylpyridin-1-ium-1-yl)methyl]benzenesulfonate Traditional Name: 3-[(2,5-dimethylpyridin-1-ium-1-yl)methyl]benzenesulfonic acid [4-(N'-formylhydrazino)anilino] ester Formula: C21H23N4O4S+ MolecularWeight: 427.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C=C1)C)CC2=CC(=CC=C2)S(=O)(=O)ONC3=CC=C(C=C3)NNC=O

Isomeric SMILES

CC1=C[N+](=C(C=C1)C)CC2=CC(=CC=C2)S(=O)(=O)ONC3=CC=C(C=C3)NNC=O

InChI

InChI=1S/C21H22N4O4S/c1-16-6-7-17(2)25(13-16)14-18-4-3-5-21(12-18)30(27,28)29-24-20-10-8-19(9-11-20)23-22-15-26/h3-13,15,23-24H,14H2,1-2H3/p+1