4-nitro-2-(pyridin-1-ium-1-ylmethyl)-1H-benzimidazole chloride

Systemtic Name: 4-nitro-2-(pyridin-1-ium-1-ylmethyl)-1H-benzimidazole chloride Openeye Name: 4-nitro-2-(pyridin-1-ium-1-ylmethyl)-1H-benzimidazole chloride CAS Name: 4-nitro-2-(1-pyridin-1-iumylmethyl)-1H-benzimidazole chloride IUPAC Name: 4-nitro-2-(pyridin-1-ium-1-ylmethyl)-1H-benzimidazole chloride Traditional Name: 4-nitro-2-(pyridin-1-ium-1-ylmethyl)-1H-benzimidazole chloride Formula: C13H11ClN4O2 MolecularWeight: 290.70504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N4O2.ClH/c18-17(19)11-6-4-5-10-13(11)15-12(14-10)9-16-7-2-1-3-8-16;/h1-8H,9H2,(H,14,15);1H/q+1;/p-1