3-[[2-(2,1,3-benzothiadiazol-5-ylamino)-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(2,1,3-benzothiadiazol-5-ylamino)-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(2,1,3-benzothiadiazol-5-ylamino)-2-oxo-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(2,1,3-benzothiadiazol-5-ylamino)-1,2-dioxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(2,1,3-benzothiadiazol-5-ylamino)-2-oxoacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-keto-2-(piazthiol-5-ylamino)acetyl]amino]propyl-dimethyl-ammonium Formula: C13H18N5O2S+ MolecularWeight: 308.37932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(=O)NC1=CC2=NSN=C2C=C1

Isomeric SMILES

C[NH+](C)CCCNC(=O)C(=O)NC1=CC2=NSN=C2C=C1

InChI

InChI=1S/C13H17N5O2S/c1-18(2)7-3-6-14-12(19)13(20)15-9-4-5-10-11(8-9)17-21-16-10/h4-5,8H,3,6-7H2,1-2H3,(H,14,19)(H,15,20)/p+1