2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-1H-benzimidazole chloride

Systemtic Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-1H-benzimidazole chloride Openeye Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-1H-benzimidazole chloride CAS Name: 2-[(3-butyl-1-imidazol-1-iumyl)methyl]-4-nitro-1H-benzimidazole chloride IUPAC Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-1H-benzimidazole chloride Traditional Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-1H-benzimidazole chloride Formula: C15H18ClN5O2 MolecularWeight: 335.78872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N5O2.ClH/c1-2-3-7-18-8-9-19(11-18)10-14-16-12-5-4-6-13(20(21)22)15(12)17-14;/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,17);1H/q+1;/p-1