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

Systemtic Name: 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(4-phenyl-2-thiazolyl)-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C23H23N4O2S+ MolecularWeight: 419.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)C4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4O2S/c28-21-18-8-4-5-9-19(18)22(29)27(21)15-12-25-10-13-26(14-11-25)23-24-20(16-30-23)17-6-2-1-3-7-17/h1-9,16H,10-15H2/p+1