3-(3-morpholin-4-ium-4-ylpropyl)-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-phenacylsulfanylquinazolin-4-one Traditional Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-(phenacylthio)quinazolin-4-one Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c27-21(18-7-2-1-3-8-18)17-30-23-24-20-10-5-4-9-19(20)22(28)26(23)12-6-11-25-13-15-29-16-14-25/h1-5,7-10H,6,11-17H2/p+1