3-(5,7-dinitroso-3-oxidanidyl-2H-1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-propan-1-amine

Systemtic Name: 3-(5,7-dinitroso-3-oxidanidyl-2H-1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-propan-1-amine Openeye Name: 3-(5,7-dinitroso-3-oxido-2H-1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-propan-1-amine CAS Name: 3-(5,7-dinitroso-3-oxido-2H-1,3-benzothiazol-3-ium-3-yl)-N,N-dimethyl-1-propanamine IUPAC Name: 3-(5,7-dinitroso-3-oxido-2H-1,3-benzothiazol-3-ium-3-yl)-N,N-dimethylpropan-1-amine Traditional Name: 3-(5,7-dinitroso-3-oxido-2H-1,3-benzothiazol-3-ium-3-yl)propyl-dimethyl-amine Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC[N+]1(CSC2=C(C=C(C=C21)N=O)N=O)[O-]

Isomeric SMILES

CN(C)CCC[N+]1(CSC2=C(C=C(C=C21)N=O)N=O)[O-]

InChI

InChI=1S/C12H16N4O3S/c1-15(2)4-3-5-16(19)8-20-12-10(14-18)6-9(13-17)7-11(12)16/h6-7H,3-5,8H2,1-2H3