methyl 4-oxidanylidene-2-sulfanylidene-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-sulfanylidene-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-sulfanylidene-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-sulfanylidene-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)C

InChI

InChI=1S/C19H25N3O3S/c1-18(2)9-12(10-19(3,4)21-18)22-15(23)13-7-6-11(16(24)25-5)8-14(13)20-17(22)26/h6-8,12,21H,9-10H2,1-5H3,(H,20,26)/p+1