3-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C22H25N4O4S+ MolecularWeight: 441.5233

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c27-21-19-7-1-2-8-20(19)23-22(25(21)10-4-9-24-11-13-30-14-12-24)31-16-17-5-3-6-18(15-17)26(28)29/h1-3,5-8,15H,4,9-14,16H2/p+1