3-[2-(2-ethylpiperidin-1-ium-1-yl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-(2-ethylpiperidin-1-ium-1-yl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(2-ethylpiperidin-1-ium-1-yl)ethyl]-6,7-dimethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(2-ethyl-1-piperidin-1-iumyl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(2-ethylpiperidin-1-ium-1-yl)ethyl]-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(2-ethylpiperidin-1-ium-1-yl)ethyl]-6,7-dimethoxy-2-thioxo-1H-quinazolin-4-one Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC

Isomeric SMILES

CCC1CCCC[NH+]1CCN2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC

InChI

InChI=1S/C19H27N3O3S/c1-4-13-7-5-6-8-21(13)9-10-22-18(23)14-11-16(24-2)17(25-3)12-15(14)20-19(22)26/h11-13H,4-10H2,1-3H3,(H,20,26)/p+1