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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O5/c1-2-27-19-6-4-3-5-18(19)23(30)28(24(27)31)15-22(29)26-11-9-25(10-12-26)14-17-7-8-20-21(13-17)33-16-32-20/h3-8,13H,2,9-12,14-16H2,1H3/p+1