3-[(2S)-3-(methylazaniumyl)-2-oxidanyl-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[(2S)-3-(methylazaniumyl)-2-oxidanyl-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[(2S)-2-hydroxy-3-(methylammonio)propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[(2S)-2-hydroxy-3-(methylammonio)propyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[(2S)-2-hydroxy-3-(methylazaniumyl)propyl]-4-oxophthalazin-1-olate Traditional Name: 3-[(2S)-2-hydroxy-3-(methylammonio)propyl]-4-keto-phthalazin-1-olate Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CN1C(=O)C2=CC=CC=C2C(=N1)[O-])O

Isomeric SMILES

C[NH2+]C[C@@H](CN1C(=O)C2=CC=CC=C2C(=N1)[O-])O

InChI

InChI=1S/C12H15N3O3/c1-13-6-8(16)7-15-12(18)10-5-3-2-4-9(10)11(17)14-15/h2-5,8,13,16H,6-7H2,1H3,(H,14,17)/t8-/m0/s1