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

Systemtic Name: 5-ethyl-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-ethyl-1-[[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-ethyl-1-[[4-[2-(4-methyl-2-thiazolyl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-ethyl-1-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-ethyl-1-[[4-[2-(4-methylthiazol-2-yl)acetyl]piperazin-1-ium-1-yl]methyl]isatin Formula: C21H25N4O3S+ MolecularWeight: 413.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C(=O)CC4=NC(=CS4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C(=O)CC4=NC(=CS4)C

InChI

InChI=1S/C21H24N4O3S/c1-3-15-4-5-17-16(10-15)20(27)21(28)25(17)13-23-6-8-24(9-7-23)19(26)11-18-22-14(2)12-29-18/h4-5,10,12H,3,6-9,11,13H2,1-2H3/p+1