3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazolin-4-one Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C15H19N3O2S/c19-14-12-4-1-2-5-13(12)16-15(21)18(14)7-3-6-17-8-10-20-11-9-17/h1-2,4-5H,3,6-11H2,(H,16,21)/p+1