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

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-1H-quinazoline-2,4-dione CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-1H-quinazoline-2,4-quinone Formula: C22H23N4O5+ MolecularWeight: 423.44182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C(=O)C5=CC=CC=C5NC4=O

InChI

InChI=1S/C22H22N4O5/c27-20(13-26-21(28)16-3-1-2-4-17(16)23-22(26)29)25-9-7-24(8-10-25)12-15-5-6-18-19(11-15)31-14-30-18/h1-6,11H,7-10,12-14H2,(H,23,29)/p+1