5,6-dinitro-2-piperidin-1-ium-1-yl-1H-benzimidazole chloride

Systemtic Name: 5,6-dinitro-2-piperidin-1-ium-1-yl-1H-benzimidazole chloride Openeye Name: 5,6-dinitro-2-piperidin-1-ium-1-yl-1H-benzimidazole chloride CAS Name: 5,6-dinitro-2-(1-piperidin-1-iumyl)-1H-benzimidazole chloride IUPAC Name: 5,6-dinitro-2-piperidin-1-ium-1-yl-1H-benzimidazole chloride Traditional Name: 5,6-dinitro-2-piperidin-1-ium-1-yl-1H-benzimidazole chloride Formula: C12H14ClN5O4 MolecularWeight: 327.72366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=NC3=CC(=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)C2=NC3=CC(=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C12H13N5O4.ClH/c18-16(19)10-6-8-9(7-11(10)17(20)21)14-12(13-8)15-4-2-1-3-5-15;/h6-7H,1-5H2,(H,13,14);1H