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

Systemtic Name: N-(7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-furoyl)piperazin-1-ium-1-yl]-N-(5-keto-7,7-dimethyl-6,8-dihydroquinazolin-2-yl)acetamide Formula: C21H26N5O4+ MolecularWeight: 412.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=NC=C2C(=O)C1)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C

Isomeric SMILES

CC1(CC2=NC(=NC=C2C(=O)C1)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C

InChI

InChI=1S/C21H25N5O4/c1-21(2)10-15-14(16(27)11-21)12-22-20(23-15)24-18(28)13-25-5-7-26(8-6-25)19(29)17-4-3-9-30-17/h3-4,9,12H,5-8,10-11,13H2,1-2H3,(H,22,23,24,28)/p+1