3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propionamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C

InChI

InChI=1S/C20H28N4O2S/c1-19(2)11-13(12-20(3,4)23-19)21-16(25)9-10-24-17(26)14-7-5-6-8-15(14)22-18(24)27/h5-8,13,23H,9-12H2,1-4H3,(H,21,25)(H,22,27)/p+1