6,7-diethoxy-3-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN2C(=O)C3=CC(=C(C=C3NC2=S)OCC)OCC

Isomeric SMILES

CC[NH+]1CCCC1CN2C(=O)C3=CC(=C(C=C3NC2=S)OCC)OCC

InChI

InChI=1S/C19H27N3O3S/c1-4-21-9-7-8-13(21)12-22-18(23)14-10-16(24-5-2)17(25-6-3)11-15(14)20-19(22)26/h10-11,13H,4-9,12H2,1-3H3,(H,20,26)/p+1