4-[4-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[4-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-[(3-ethoxy-2-hydroxyphenyl)methyl]-1-piperazin-4-iumyl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(3-ethoxy-2-hydroxyphenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(3-ethoxy-2-hydroxy-benzyl)piperazin-4-ium-1-yl]-2-p-anisyl-isoindoline-1,3-quinone Formula: C29H32N3O5+ MolecularWeight: 502.58148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=C(C=C5)OC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C29H31N3O5/c1-3-37-25-9-4-6-21(27(25)33)19-30-14-16-31(17-15-30)24-8-5-7-23-26(24)29(35)32(28(23)34)18-20-10-12-22(36-2)13-11-20/h4-13,33H,3,14-19H2,1-2H3/p+1