5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-(4-ethoxyphenyl)isoindole-1,3-dione

Systemtic Name: 5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-(4-ethoxyphenyl)isoindole-1,3-dione Openeye Name: 5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(4-ethoxyphenyl)isoindoline-1,3-dione CAS Name: 5-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-(4-ethoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(4-ethoxyphenyl)isoindole-1,3-dione Traditional Name: 5-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-carbonyl]-2-p-phenetyl-isoindoline-1,3-quinone Formula: C30H32N3O6+ MolecularWeight: 530.59158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=C(C=CC(=C5)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=C(C=CC(=C5)OC)OC

InChI

InChI=1S/C30H31N3O6/c1-4-39-23-8-6-22(7-9-23)33-29(35)25-11-5-20(18-26(25)30(33)36)28(34)32-15-13-31(14-16-32)19-21-17-24(37-2)10-12-27(21)38-3/h5-12,17-18H,4,13-16,19H2,1-3H3/p+1