2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-oxidanylidene-7,8-dihydro-6H-quinazolin-2-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-oxidanylidene-7,8-dihydro-6H-quinazolin-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide Traditional Name: N-(5-keto-7,8-dihydro-6H-quinazolin-2-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C22H26N5O4+ MolecularWeight: 424.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC(=NC=C2C(=O)C1)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=NC(=NC=C2C(=O)C1)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N5O4/c28-18-3-1-2-17-16(18)11-23-22(24-17)25-21(29)13-27-8-6-26(7-9-27)12-15-4-5-19-20(10-15)31-14-30-19/h4-5,10-11H,1-3,6-9,12-14H2,(H,23,24,25,29)/p+1