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

Systemtic Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione Openeye Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindoline-1,3-dione CAS Name: 4-[4-(2,2-dimethylpropyl)-1-piperazin-4-iumyl]-2-(3-methoxypropyl)isoindole-1,3-dione IUPAC Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione Traditional Name: 2-(3-methoxypropyl)-4-(4-neopentylpiperazin-4-ium-1-yl)isoindoline-1,3-quinone Formula: C21H32N3O3+ MolecularWeight: 374.49708

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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)CCCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-21(2,3)15-22-10-12-23(13-11-22)17-8-5-7-16-18(17)20(26)24(19(16)25)9-6-14-27-4/h5,7-8H,6,9-15H2,1-4H3/p+1