4-oxidanylidene-3-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]phthalazine-1-carboxylate

Systemtic Name: 4-oxidanylidene-3-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]phthalazine-1-carboxylate Openeye Name: 3-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-[[(2R)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]-1-phthalazinecarboxylate IUPAC Name: 3-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-4-keto-phthalazine-1-carboxylate Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C21H21N3O4/c25-20-18-9-5-4-8-17(18)19(21(26)27)22-24(20)14-16-13-23(10-11-28-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,26,27)/t16-/m1/s1