3-(4-oxidanylidenequinazolin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: 3-(4-oxidanylidenequinazolin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-(4-oxoquinazolin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-(4-oxo-3-quinazolinyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-(4-oxoquinazolin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-(4-ketoquinazolin-3-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propionamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)CCN2C=NC3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)CCN2C=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C20H28N4O2/c1-19(2)11-14(12-20(3,4)23-19)22-17(25)9-10-24-13-21-16-8-6-5-7-15(16)18(24)26/h5-8,13-14,23H,9-12H2,1-4H3,(H,22,25)/p+1