5-[(3S)-piperidin-1-ium-3-yl]carbonyl-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-[(3S)-piperidin-1-ium-3-yl]carbonyl-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-[(3S)-piperidin-1-ium-3-carbonyl]-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[oxo-[(3S)-3-piperidin-1-iumyl]methyl]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-[(3S)-piperidin-1-ium-3-carbonyl]-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-[(3S)-piperidin-1-ium-3-carbonyl]-1,3-dihydrobenzimidazol-2-one Formula: C13H16N3O2+ MolecularWeight: 246.28504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)C2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)C2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C13H15N3O2/c17-12(9-2-1-5-14-7-9)8-3-4-10-11(6-8)16-13(18)15-10/h3-4,6,9,14H,1-2,5,7H2,(H2,15,16,18)/p+1/t9-/m0/s1