N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-oxoquinazolin-3-yl)acetamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-(4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(4-ketoquinazolin-3-yl)acetamide Formula: C22H24FN4O3+ MolecularWeight: 411.449363

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)CN2C=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)CN2C=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)F

InChI

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