4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butylazanium

Systemtic Name: 4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butylazanium Openeye Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butylammonium CAS Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butylammonium IUPAC Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butylazanium Traditional Name: 4-(1,1,3-triketo-1,2-benzothiazol-2-yl)butylammonium Formula: C11H15N2O3S+ MolecularWeight: 255.3134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCC[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCC[NH3+]

InChI

InChI=1S/C11H14N2O3S/c12-7-3-4-8-13-11(14)9-5-1-2-6-10(9)17(13,15)16/h1-2,5-6H,3-4,7-8,12H2/p+1