2-[2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-veratroylpiperazin-1-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C23H26N3O5+ MolecularWeight: 424.46964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C23H25N3O5/c1-30-19-8-7-16(15-20(19)31-2)21(27)25-12-9-24(10-13-25)11-14-26-22(28)17-5-3-4-6-18(17)23(26)29/h3-8,15H,9-14H2,1-2H3/p+1