2-[[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(4-methylpiperazin-4-ium-1-yl)thiazol-5-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(4-methyl-1-piperazin-4-iumyl)-5-thiazolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-5-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(4-methylpiperazin-4-ium-1-yl)thiazol-5-yl]methyl]isoindoline-1,3-quinone Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(S2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(S2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H18N4O2S/c1-19-6-8-20(9-7-19)17-18-10-12(24-17)11-21-15(22)13-4-2-3-5-14(13)16(21)23/h2-5,10H,6-9,11H2,1H3/p+1