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

Systemtic Name: 2-[(5-ethoxy-1H-benzimidazol-1-ium-2-yl)sulfanyl]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[(5-ethoxy-1H-benzimidazol-1-ium-2-yl)sulfanyl]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[(5-ethoxy-1H-benzimidazol-1-ium-2-yl)thio]ethyl-dimethylammonium dichloride IUPAC Name: 2-[(5-ethoxy-1H-benzimidazol-1-ium-2-yl)sulfanyl]ethyl-dimethylazanium dichloride Traditional Name: 2-[(5-ethoxy-1H-benzimidazol-1-ium-2-yl)thio]ethyl-dimethyl-ammonium dichloride Formula: C13H21Cl2N3OS MolecularWeight: 338.29634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH2+]C(=N2)SCC[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH2+]C(=N2)SCC[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C13H19N3OS.2ClH/c1-4-17-10-5-6-11-12(9-10)15-13(14-11)18-8-7-16(2)3;;/h5-6,9H,4,7-8H2,1-3H3,(H,14,15);2*1H