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

Systemtic Name: 1-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]isatin Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4C(=O)C3=O

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4C(=O)C3=O

InChI

InChI=1S/C18H20N4O2S/c1-13-19-14(11-25-13)10-20-6-8-21(9-7-20)12-22-16-5-3-2-4-15(16)17(23)18(22)24/h2-5,11H,6-10,12H2,1H3/p+1