5-methyl-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-methyl-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-methyl-1-[[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-methyl-1-[[4-[2-(4-methyl-2-thiazolyl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-methyl-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-methyl-1-[[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]isatin Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C(=O)CC4=NC(=CS4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C(=O)CC4=NC(=CS4)C

InChI

InChI=1S/C20H22N4O3S/c1-13-3-4-16-15(9-13)19(26)20(27)24(16)12-22-5-7-23(8-6-22)18(25)10-17-21-14(2)11-28-17/h3-4,9,11H,5-8,10,12H2,1-2H3/p+1