5-nitro-3-piperidin-1-ium-4-yl-1H-benzimidazol-2-one

Systemtic Name: 5-nitro-3-piperidin-1-ium-4-yl-1H-benzimidazol-2-one Openeye Name: 5-nitro-3-piperidin-1-ium-4-yl-1H-benzimidazol-2-one CAS Name: 5-nitro-3-(4-piperidin-1-iumyl)-1H-benzimidazol-2-one IUPAC Name: 5-nitro-3-piperidin-1-ium-4-yl-1H-benzimidazol-2-one Traditional Name: 5-nitro-3-piperidin-1-ium-4-yl-1H-benzimidazol-2-one Formula: C12H15N4O3+ MolecularWeight: 263.2725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1N2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O

Isomeric SMILES

C1C[NH2+]CCC1N2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O

InChI

InChI=1S/C12H14N4O3/c17-12-14-10-2-1-9(16(18)19)7-11(10)15(12)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2,(H,14,17)/p+1