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

Systemtic Name: 2-[2-(3-butylimidazol-3-ium-1-yl)ethyl]-4-nitro-1H-benzimidazole Openeye Name: 2-[2-(3-butylimidazol-3-ium-1-yl)ethyl]-4-nitro-1H-benzimidazole CAS Name: 2-[2-(3-butyl-1-imidazol-3-iumyl)ethyl]-4-nitro-1H-benzimidazole IUPAC Name: 2-[2-(3-butylimidazol-3-ium-1-yl)ethyl]-4-nitro-1H-benzimidazole Traditional Name: 2-[2-(3-butylimidazol-3-ium-1-yl)ethyl]-4-nitro-1H-benzimidazole Formula: C16H20N5O2+ MolecularWeight: 314.3623

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C=C1)CCC2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCC[N+]1=CN(C=C1)CCC2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H20N5O2/c1-2-3-8-19-10-11-20(12-19)9-7-15-17-13-5-4-6-14(21(22)23)16(13)18-15/h4-6,10-12H,2-3,7-9H2,1H3,(H,17,18)/q+1