6-chloranyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H23ClN3O4+ MolecularWeight: 440.89942

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C23H22ClN3O4/c24-16-2-3-18-17(12-16)23(29)26-21(25-18)13-27-7-5-14(6-8-27)22(28)15-1-4-19-20(11-15)31-10-9-30-19/h1-4,11-12,14H,5-10,13H2,(H,25,26,29)/p+1