1-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl]-N-(1,3-benzodioxol-5-yl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Formula: C24H26N5O5+ MolecularWeight: 464.49374

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5C(=O)N4CC(=O)N

InChI

InChI=1S/C24H25N5O5/c25-21(30)12-29-22(27-18-4-2-1-3-17(18)24(29)32)13-28-9-7-15(8-10-28)23(31)26-16-5-6-19-20(11-16)34-14-33-19/h1-6,11,15H,7-10,12-14H2,(H2,25,30)(H,26,31)/p+1