1H-benzimidazol-1-ium-2-ylmethylazanium dichloride hydrate

Systemtic Name: 1H-benzimidazol-1-ium-2-ylmethylazanium dichloride hydrate Openeye Name: 1H-benzimidazol-1-ium-2-ylmethylammonium dichloride hydrate CAS Name: 1H-benzimidazol-1-ium-2-ylmethylammonium dichloride hydrate IUPAC Name: 1H-benzimidazol-1-ium-2-ylmethylazanium dichloride hydrate Traditional Name: 1H-benzimidazol-1-ium-2-ylmethylammonium dichloride hydrate Formula: C8H13Cl2N3O MolecularWeight: 238.11432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH2+]C(=N2)C[NH3+].O.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)[NH2+]C(=N2)C[NH3+].O.[Cl-].[Cl-]

InChI

InChI=1S/C8H9N3.2ClH.H2O/c9-5-8-10-6-3-1-2-4-7(6)11-8;;;/h1-4H,5,9H2,(H,10,11);2*1H;1H2