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

Systemtic Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-(2,2-dimethylpropyl)-1-piperazin-4-iumyl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-(4-neopentylpiperazin-4-ium-1-yl)-2-p-anisyl-isoindoline-1,3-quinone Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-25(2,3)17-26-12-14-27(15-13-26)21-7-5-6-20-22(21)24(30)28(23(20)29)16-18-8-10-19(31-4)11-9-18/h5-11H,12-17H2,1-4H3/p+1