2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-1H-quinazolin-4-one Formula: C21H24N4O3+2 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C21H22N4O3/c26-21-16-3-1-2-4-17(16)22-20(23-21)13-25-9-7-24(8-10-25)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11H,7-10,12-14H2,(H,22,23,26)/p+2