2-[(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzoate

Systemtic Name: 2-[(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzoate Openeye Name: 2-[(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate CAS Name: 2-[(2S)-3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate IUPAC Name: 2-[(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate Traditional Name: 2-[(2S)-4-keto-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-2-yl]benzoate Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCN2[C@H](NC3=CC=CC=C3C2=O)C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C22H25N3O4/c26-21-18-8-3-4-9-19(18)23-20(16-6-1-2-7-17(16)22(27)28)25(21)11-5-10-24-12-14-29-15-13-24/h1-4,6-9,20,23H,5,10-15H2,(H,27,28)/t20-/m0/s1