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

Systemtic Name: 4-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-2-p-anisyl-isoindoline-1,3-quinone Formula: C29H32N3O3+ MolecularWeight: 470.58268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=C(C=C5)OC

Isomeric SMILES

CCC1=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/C29H31N3O3/c1-3-21-7-9-22(10-8-21)19-30-15-17-31(18-16-30)26-6-4-5-25-27(26)29(34)32(28(25)33)20-23-11-13-24(35-2)14-12-23/h4-14H,3,15-20H2,1-2H3/p+1