3-[[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[[4-(2-chloro-6-nitro-phenyl)piperazin-1-ium-1-yl]methyl]thiazolidine-2,4-dione CAS Name: 3-[[4-(2-chloro-6-nitrophenyl)-1-piperazin-1-iumyl]methyl]thiazolidine-2,4-dione IUPAC Name: 3-[[4-(2-chloro-6-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[[4-(2-chloro-6-nitro-phenyl)piperazin-1-ium-1-yl]methyl]thiazolidine-2,4-quinone Formula: C14H16ClN4O4S+ MolecularWeight: 371.81924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)CSC2=O)C3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)CSC2=O)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H15ClN4O4S/c15-10-2-1-3-11(19(22)23)13(10)17-6-4-16(5-7-17)9-18-12(20)8-24-14(18)21/h1-3H,4-9H2/p+1