3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(3-methylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(3-methylphenyl)pyrrole-2,5-dione Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(m-tolyl)pyrrole-2,5-dione CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-(3-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(3-methylphenyl)pyrrole-2,5-dione Traditional Name: 1-(m-tolyl)-3-(4-piperonylpiperazin-4-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C23H24N3O4+ MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C=C(C2=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C=C(C2=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O4/c1-16-3-2-4-18(11-16)26-22(27)13-19(23(26)28)25-9-7-24(8-10-25)14-17-5-6-20-21(12-17)30-15-29-20/h2-6,11-13H,7-10,14-15H2,1H3/p+1