2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[(4-piperonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C23H27N4O5+ MolecularWeight: 439.48428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C23H26N4O5/c1-29-19-10-16-17(11-20(19)30-2)24-22(25-23(16)28)13-27-7-5-26(6-8-27)12-15-3-4-18-21(9-15)32-14-31-18/h3-4,9-11H,5-8,12-14H2,1-2H3,(H,24,25,28)/p+1