2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)sulfanyl]ethyl-dimethyl-azanium dichloride

Systemtic Name: 2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)sulfanyl]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)sulfanyl]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)thio]ethyl-dimethylammonium dichloride IUPAC Name: 2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)sulfanyl]ethyl-dimethylazanium dichloride Traditional Name: 2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)thio]ethyl-dimethyl-ammonium dichloride Formula: C12H19Cl2N3OS MolecularWeight: 324.26976

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=NC2=C([NH2+]1)C=CC(=C2)OC.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCSC1=NC2=C([NH2+]1)C=CC(=C2)OC.[Cl-].[Cl-]

InChI

InChI=1S/C12H17N3OS.2ClH/c1-15(2)6-7-17-12-13-10-5-4-9(16-3)8-11(10)14-12;;/h4-5,8H,6-7H2,1-3H3,(H,13,14);2*1H