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1-[(5-chloranyl-1,3-benzothiazol-2-yl)azaniumyl]propyl-trimethyl-azanium dibromide

1-[(5-chloranyl-1,3-benzothiazol-2-yl)azaniumyl]propyl-trimethyl-azanium dibromide

Systemtic Name:1-[(5-chloranyl-1,3-benzothiazol-2-yl)azaniumyl]propyl-trimethyl-azanium dibromide
Openeye Name:1-[(5-chloro-1,3-benzothiazol-2-yl)ammonio]propyl-trimethyl-ammonium dibromide
CAS Name:1-[(5-chloro-1,3-benzothiazol-2-yl)ammonio]propyl-trimethylammonium dibromide
IUPAC Name:1-[(5-chloro-1,3-benzothiazol-2-yl)azaniumyl]propyl-trimethylazanium dibromide
Traditional Name:1-[(5-chloro-1,3-benzothiazol-2-yl)ammonio]propyl-trimethyl-ammonium dibromide
Formula: C13H20Br2ClN3S
MolecularWeight: 445.644
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Descriptors Computed from Structure

Canonical SMILES:

CCC([NH2+]C1=NC2=C(S1)C=CC(=C2)Cl)[N+](C)(C)C.[Br-].[Br-]


Isomeric SMILES

CCC([NH2+]C1=NC2=C(S1)C=CC(=C2)Cl)[N+](C)(C)C.[Br-].[Br-]


InChI

InChI=1S/C13H19ClN3S.2BrH/c1-5-12(17(2,3)4)16-13-15-10-8-9(14)6-7-11(10)18-13;;/h6-8,12H,5H2,1-4H3,(H,15,16);2*1H/q+1;;/p-1


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