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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C[NH+]1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c1-21(23-7-4-3-5-8-23)19-30-15-17-31(18-16-30)26-10-6-9-25-27(26)29(34)32(28(25)33)20-22-11-13-24(35-2)14-12-22/h3-14,21H,15-20H2,1-2H3/p+1/t21-/m0/s1