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

Systemtic Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Openeye Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-dione CAS Name: 4-[4-(2,2-dimethylpropyl)-1-piperazin-4-iumyl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione IUPAC Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Traditional Name: 4-(4-neopentylpiperazin-4-ium-1-yl)-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-quinone Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC(C)(C)C

Isomeric SMILES

C[C@H](C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)CC(C)(C)C

InChI

InChI=1S/C23H29N3O2S/c1-16(19-9-6-14-29-19)26-21(27)17-7-5-8-18(20(17)22(26)28)25-12-10-24(11-13-25)15-23(2,3)4/h5-9,14,16H,10-13,15H2,1-4H3/p+1/t16-/m1/s1