N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propionamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H24N4O2/c1-21-11-9-13(10-12-21)22(2)17(23)8-7-16-19-15-6-4-3-5-14(15)18(24)20-16/h3-6,13H,7-12H2,1-2H3,(H,19,20,24)/p+1