(5E)-3-ethyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: (5E)-3-ethyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: (5E)-3-ethyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylene]thiazolidine-2,4-dione CAS Name: (5E)-3-ethyl-5-[[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methylidene]thiazolidine-2,4-dione IUPAC Name: (5E)-3-ethyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: (5E)-3-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzylidene]thiazolidine-2,4-quinone Formula: C17H21N4O4S+ MolecularWeight: 377.43804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])SC1=O

Isomeric SMILES

CCN1C(=O)/C(=C\C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])/SC1=O

InChI

InChI=1S/C17H20N4O4S/c1-3-20-16(22)15(26-17(20)23)11-12-4-5-13(14(10-12)21(24)25)19-8-6-18(2)7-9-19/h4-5,10-11H,3,6-9H2,1-2H3/p+1/b15-11+