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

Systemtic Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxo-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-1,2-dioxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-acetyl]amino]propyl-dimethyl-ammonium Formula: C14H19N4O2S+ MolecularWeight: 307.39126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[NH+](C)CCCNC(=O)C(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H18N4O2S/c1-18(2)9-5-8-15-12(19)13(20)17-14-16-10-6-3-4-7-11(10)21-14/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,19)(H,16,17,20)/p+1