4-methylbenzenesulfonate; 2-[(E)-3-methylbutylideneamino]-1-oxidanyl-guanidine

Systemtic Name: 4-methylbenzenesulfonate; 2-[(E)-3-methylbutylideneamino]-1-oxidanyl-guanidine Openeye Name: 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine; 4-methylbenzenesulfonate CAS Name: 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine; 4-methylbenzenesulfonate IUPAC Name: 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine; 4-methylbenzenesulfonate Traditional Name: 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine tosylate Formula: C13H21N4O4S- MolecularWeight: 329.39524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)CC=NN=C(N)NO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C/C=N/N=C(\N)/NO

InChI

InChI=1S/C7H8O3S.C6H14N4O/c1-6-2-4-7(5-3-6)11(8,9)10;1-5(2)3-4-8-9-6(7)10-11/h2-5H,1H3,(H,8,9,10);4-5,11H,3H2,1-2H3,(H3,7,9,10)/p-1/b;8-4+