2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-benzimidazol-3-ide

Systemtic Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-benzimidazol-3-ide Openeye Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-benzimidazol-3-ide CAS Name: 2-[(3-butyl-1-imidazol-1-iumyl)methyl]-4-nitrobenzimidazol-3-ide IUPAC Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitrobenzimidazol-3-ide Traditional Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-benzimidazol-3-ide Formula: C15H17N5O2 MolecularWeight: 299.32778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC2=NC3=C([N-]2)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)CC2=NC3=C([N-]2)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O2/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