2-[(3-butylimidazol-1-ium-1-yl)methyl]-5,6-dimethyl-1H-benzimidazole chloride

Systemtic Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-5,6-dimethyl-1H-benzimidazole chloride Openeye Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-5,6-dimethyl-1H-benzimidazole chloride CAS Name: 2-[(3-butyl-1-imidazol-1-iumyl)methyl]-5,6-dimethyl-1H-benzimidazole chloride IUPAC Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-5,6-dimethyl-1H-benzimidazole chloride Traditional Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-5,6-dimethyl-1H-benzimidazole chloride Formula: C17H23ClN4 MolecularWeight: 318.84432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC2=NC3=C(N2)C=C(C(=C3)C)C.[Cl-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)CC2=NC3=C(N2)C=C(C(=C3)C)C.[Cl-]

InChI

InChI=1S/C17H23N4.ClH/c1-4-5-6-20-7-8-21(12-20)11-17-18-15-9-13(2)14(3)10-16(15)19-17;/h7-10,12H,4-6,11H2,1-3H3,(H,18,19);1H/q+1;/p-1