3-[4-[(E)-dimethylaminomethylideneamino]-1,2,4-triazol-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[(E)-dimethylaminomethylideneamino]-1,2,4-triazol-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(E)-dimethylaminomethyleneamino]-1,2,4-triazol-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(E)-dimethylaminomethylideneamino]-1,2,4-triazol-1-ium-1-yl]-1-propanesulfonate IUPAC Name: 3-[4-[(E)-dimethylaminomethylideneamino]-1,2,4-triazol-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(E)-dimethylaminomethyleneamino]-1,2,4-triazol-1-ium-1-yl]propane-1-sulfonate Formula: C8H15N5O3S MolecularWeight: 261.3014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NN1C=N[N+](=C1)CCCS(=O)(=O)[O-]

Isomeric SMILES

CN(C)/C=N/N1C=N[N+](=C1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C8H15N5O3S/c1-11(2)6-9-13-7-10-12(8-13)4-3-5-17(14,15)16/h6-8H,3-5H2,1-2H3/b9-6+