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

Systemtic Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-2-p-anisyl-isoindoline-1,3-quinone Formula: C29H32N3O4+ MolecularWeight: 486.58208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=C(C=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C29H31N3O4/c1-3-36-24-13-9-21(10-14-24)19-30-15-17-31(18-16-30)26-6-4-5-25-27(26)29(34)32(28(25)33)20-22-7-11-23(35-2)12-8-22/h4-14H,3,15-20H2,1-2H3/p+1