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

Systemtic Name: 4-[4-[(4-methoxy-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-[(2-hydroxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-[(2-hydroxy-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(2-hydroxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(2-hydroxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-p-anisyl-isoindoline-1,3-quinone Formula: C28H30N3O5+ MolecularWeight: 488.5549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=C(C=C(C=C5)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC5=C(C=C(C=C5)OC)O

InChI

InChI=1S/C28H29N3O5/c1-35-21-9-6-19(7-10-21)17-31-27(33)23-4-3-5-24(26(23)28(31)34)30-14-12-29(13-15-30)18-20-8-11-22(36-2)16-25(20)32/h3-11,16,32H,12-15,17-18H2,1-2H3/p+1