4-oxidanylidene-5-[[(3S)-piperidin-1-ium-3-yl]carbonylamino]-3H-phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-5-[[(3S)-piperidin-1-ium-3-yl]carbonylamino]-3H-phthalazin-1-olate Openeye Name: 4-oxo-5-[[(3S)-piperidin-1-ium-3-carbonyl]amino]-3H-phthalazin-1-olate CAS Name: 4-oxo-5-[[oxo-[(3S)-3-piperidin-1-iumyl]methyl]amino]-3H-phthalazin-1-olate IUPAC Name: 4-oxo-5-[[(3S)-piperidin-1-ium-3-carbonyl]amino]-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[[(3S)-piperidin-1-ium-3-carbonyl]amino]-3H-phthalazin-1-olate Formula: C14H16N4O3 MolecularWeight: 288.30184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)NC2=CC=CC3=C2C(=O)NN=C3[O-]

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)NC2=CC=CC3=C2C(=O)NN=C3[O-]

InChI

InChI=1S/C14H16N4O3/c19-12(8-3-2-6-15-7-8)16-10-5-1-4-9-11(10)14(21)18-17-13(9)20/h1,4-5,8,15H,2-3,6-7H2,(H,16,19)(H,17,20)(H,18,21)/t8-/m0/s1