1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-1-[(E)-piperonylideneamino]guanidine; tosylic acid Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1OC2=C(O1)C=C(C=C2)C=NN(C(=N)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1OC2=C(O1)C=C(C=C2)/C=N/N(C(=N)N)O

InChI

InChI=1S/C9H10N4O3.C7H8O3S/c10-9(11)13(14)12-4-6-1-2-7-8(3-6)16-5-15-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,14H,5H2,(H3,10,11);2-5H,1H3,(H,8,9,10)/b12-4+;