6-nitro-2-(piperidin-1-ium-4-ylmethyl)-1H-benzimidazole

Systemtic Name: 6-nitro-2-(piperidin-1-ium-4-ylmethyl)-1H-benzimidazole Openeye Name: 6-nitro-2-(piperidin-1-ium-4-ylmethyl)-1H-benzimidazole CAS Name: 6-nitro-2-(4-piperidin-1-iumylmethyl)-1H-benzimidazole IUPAC Name: 6-nitro-2-(piperidin-1-ium-4-ylmethyl)-1H-benzimidazole Traditional Name: 6-nitro-2-(piperidin-1-ium-4-ylmethyl)-1H-benzimidazole Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCC1CC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2/c18-17(19)10-1-2-11-12(8-10)16-13(15-11)7-9-3-5-14-6-4-9/h1-2,8-9,14H,3-7H2,(H,15,16)/p+1