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

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C22H24FN4O3+ MolecularWeight: 411.449363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O3/c23-16-7-5-15(6-8-16)20(27-9-11-30-12-10-27)14-24-21(28)13-19-17-3-1-2-4-18(17)22(29)26-25-19/h1-8,20H,9-14H2,(H,24,28)(H,26,29)/p+1/t20-/m1/s1