2-(1-butylpyridin-1-ium-4-yl)-4-nitro-1H-benzimidazole

Systemtic Name: 2-(1-butylpyridin-1-ium-4-yl)-4-nitro-1H-benzimidazole Openeye Name: 2-(1-butylpyridin-1-ium-4-yl)-4-nitro-1H-benzimidazole CAS Name: 2-(1-butyl-4-pyridin-1-iumyl)-4-nitro-1H-benzimidazole IUPAC Name: 2-(1-butylpyridin-1-ium-4-yl)-4-nitro-1H-benzimidazole Traditional Name: 2-(1-butylpyridin-1-ium-4-yl)-4-nitro-1H-benzimidazole Formula: C16H17N4O2+ MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O2/c1-2-3-9-19-10-7-12(8-11-19)16-17-13-5-4-6-14(20(21)22)15(13)18-16/h4-8,10-11H,2-3,9H2,1H3/p+1