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

Systemtic Name: 2-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=CS4

InChI

InChI=1S/C17H18N4O2S/c22-15-13-3-1-2-4-14(13)16(23)21(15)11-8-19-6-9-20(10-7-19)17-18-5-12-24-17/h1-5,12H,6-11H2/p+1