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

Systemtic Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butyl]-1H-quinazoline-2,4-dione CAS Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-oxobutyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[4-keto-4-(4-piperonylpiperazin-4-ium-1-yl)butyl]-1H-quinazoline-2,4-quinone Formula: C24H27N4O5+ MolecularWeight: 451.49498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)C5=CC=CC=C5NC4=O

InChI

InChI=1S/C24H26N4O5/c29-22(6-3-9-28-23(30)18-4-1-2-5-19(18)25-24(28)31)27-12-10-26(11-13-27)15-17-7-8-20-21(14-17)33-16-32-20/h1-2,4-5,7-8,14H,3,6,9-13,15-16H2,(H,25,31)/p+1