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

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-(2-hydroxyethylsulfanyl)-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-(2-hydroxyethylthio)-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-(2-hydroxyethylsulfanyl)-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-(2-hydroxyethylthio)-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCCO

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCCO

InChI

InChI=1S/C17H23N3O3S/c21-10-13-24-17-18-15-5-2-1-4-14(15)16(22)20(17)7-3-6-19-8-11-23-12-9-19/h1-2,4-5,21H,3,6-13H2/p+1