6-(5-nitroso-3-oxidanidyl-2H-1,3-benzothiazol-3-ium-3-yl)hexan-1-amine hydrochloride

Systemtic Name: 6-(5-nitroso-3-oxidanidyl-2H-1,3-benzothiazol-3-ium-3-yl)hexan-1-amine hydrochloride Openeye Name: 6-(5-nitroso-3-oxido-2H-1,3-benzothiazol-3-ium-3-yl)hexan-1-amine hydrochloride CAS Name: 6-(5-nitroso-3-oxido-2H-1,3-benzothiazol-3-ium-3-yl)-1-hexanamine hydrochloride IUPAC Name: 6-(5-nitroso-3-oxido-2H-1,3-benzothiazol-3-ium-3-yl)hexan-1-amine hydrochloride Traditional Name: 6-(5-nitroso-3-oxido-2H-1,3-benzothiazol-3-ium-3-yl)hexylamine hydrochloride Formula: C13H20ClN3O2S MolecularWeight: 317.8348

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Descriptors Computed from Structure

Canonical SMILES:

C1[N+](C2=C(S1)C=CC(=C2)N=O)(CCCCCCN)[O-].Cl

Isomeric SMILES

C1[N+](C2=C(S1)C=CC(=C2)N=O)(CCCCCCN)[O-].Cl

InChI

InChI=1S/C13H19N3O2S.ClH/c14-7-3-1-2-4-8-16(18)10-19-13-6-5-11(15-17)9-12(13)16;/h5-6,9H,1-4,7-8,10,14H2;1H