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

Systemtic Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-(1,3-thiazol-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-(thiazol-2-ylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-(2,2-dimethylpropyl)-1-piperazin-4-iumyl]-2-(2-thiazolylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(2,2-dimethylpropyl)piperazin-4-ium-1-yl]-2-(1,3-thiazol-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-(4-neopentylpiperazin-4-ium-1-yl)-2-(thiazol-2-ylmethyl)isoindoline-1,3-quinone Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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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=NC=CS4

Isomeric SMILES

CC(C)(C)C[NH+]1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=NC=CS4

InChI

InChI=1S/C21H26N4O2S/c1-21(2,3)14-23-8-10-24(11-9-23)16-6-4-5-15-18(16)20(27)25(19(15)26)13-17-22-7-12-28-17/h4-7,12H,8-11,13-14H2,1-3H3/p+1