ethanedioate; 6-(1-imidazol-1-ylheptyl)-1H-benzimidazole

Systemtic Name: ethanedioate; 6-(1-imidazol-1-ylheptyl)-1H-benzimidazole Openeye Name: 6-(1-imidazol-1-ylheptyl)-1H-benzimidazole; oxalate CAS Name: 6-[1-(1-imidazolyl)heptyl]-1H-benzimidazole; oxalate IUPAC Name: 6-(1-imidazol-1-ylheptyl)-1H-benzimidazole; oxalate Traditional Name: 6-(1-imidazol-1-ylheptyl)-1H-benzimidazole; oxalate Formula: C19H22N4O4-2 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC2=C(C=C1)N=CN2)N3C=CN=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCCC(C1=CC2=C(C=C1)N=CN2)N3C=CN=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C17H22N4.C2H2O4/c1-2-3-4-5-6-17(21-10-9-18-13-21)14-7-8-15-16(11-14)20-12-19-15;3-1(4)2(5)6/h7-13,17H,2-6H2,1H3,(H,19,20);(H,3,4)(H,5,6)/p-2