2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4,7,7-trimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl)ethanamide

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4,7,7-trimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl)ethanamide Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-(5-keto-4,7,7-trimethyl-6,8-dihydroquinazolin-2-yl)acetamide Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)(C)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)CC(C2)(C)C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H27N5O4/c1-14-19-15(11-22(2,3)12-16(19)28)24-21(23-14)25-18(29)13-26-6-8-27(9-7-26)20(30)17-5-4-10-31-17/h4-5,10H,6-9,11-13H2,1-3H3,(H,23,24,25,29)/p+1