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

Systemtic Name: 5-chloranyl-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-chloro-1-[[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-chloro-1-[[4-[2-(4-methyl-2-thiazolyl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-chloro-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-chloro-1-[[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]isatin Formula: C19H20ClN4O3S+ MolecularWeight: 419.9051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O

InChI

InChI=1S/C19H19ClN4O3S/c1-12-10-28-16(21-12)9-17(25)23-6-4-22(5-7-23)11-24-15-3-2-13(20)8-14(15)18(26)19(24)27/h2-3,8,10H,4-7,9,11H2,1H3/p+1