2-(4-oxidanylidenequinazolin-3-yl)-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]ethanamide

Systemtic Name: 2-(4-oxidanylidenequinazolin-3-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-oxoquinazolin-3-yl)acetamide CAS Name: 2-(4-oxo-3-quinazolinyl)-N-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]acetamide IUPAC Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(4-ketoquinazolin-3-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)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O3/c27-21(15-26-16-24-20-9-5-4-8-19(20)22(26)28)23-12-18-14-25(10-11-29-18)13-17-6-2-1-3-7-17/h1-9,16,18H,10-15H2,(H,23,27)/p+1/t18-/m0/s1