3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]-1H-quinazoline-2,4-dione CAS Name: 3-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[4-(4-piperonylpiperazin-4-ium-1-carbonyl)benzyl]-1H-quinazoline-2,4-quinone Formula: C28H27N4O5+ MolecularWeight: 499.53778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CN5C(=O)C6=CC=CC=C6NC5=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CN5C(=O)C6=CC=CC=C6NC5=O

InChI

InChI=1S/C28H26N4O5/c33-26(31-13-11-30(12-14-31)16-20-7-10-24-25(15-20)37-18-36-24)21-8-5-19(6-9-21)17-32-27(34)22-3-1-2-4-23(22)29-28(32)35/h1-10,15H,11-14,16-18H2,(H,29,35)/p+1