2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]ethanamide Openeye Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]acetamide IUPAC Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O3/c27-21(12-20-18-8-4-5-9-19(18)22(28)25-24-20)23-13-17-15-26(10-11-29-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,27)(H,25,28)/p+1/t17-/m0/s1