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

Systemtic Name: 2-[3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propyl]isoindoline-1,3-quinone Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC=CS4

InChI

InChI=1S/C18H20N4O2S/c23-16-14-4-1-2-5-15(14)17(24)22(16)8-3-7-20-9-11-21(12-10-20)18-19-6-13-25-18/h1-2,4-6,13H,3,7-12H2/p+1