bis(azanyl)methylidene-hexyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: bis(azanyl)methylidene-hexyl-azanium; 4-methylbenzenesulfonate Openeye Name: diaminomethylene(hexyl)ammonium; 4-methylbenzenesulfonate CAS Name: diaminomethylidene(hexyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: diaminomethylidene(hexyl)azanium; 4-methylbenzenesulfonate Traditional Name: diaminomethylene(hexyl)ammonium tosylate Formula: C14H25N3O3S MolecularWeight: 315.4316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH+]=C(N)N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC[NH+]=C(N)N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H17N3.C7H8O3S/c1-2-3-4-5-6-10-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H2,1H3,(H4,8,9,10);2-5H,1H3,(H,8,9,10)