N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: 3-(4-ketoquinazolin-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]propionamide Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCN2C=NC3=CC=CC=C3C2=O)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CCN2C=NC3=CC=CC=C3C2=O)[NH+]4CCOCC4

InChI

InChI=1S/C24H28N4O4/c1-31-19-8-6-18(7-9-19)22(27-12-14-32-15-13-27)16-25-23(29)10-11-28-17-26-21-5-3-2-4-20(21)24(28)30/h2-9,17,22H,10-16H2,1H3,(H,25,29)/p+1/t22-/m0/s1