N-[2-chloranyl-4-(methylsulfonylamino)-5-oxidanyl-phenyl]-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide

Systemtic Name: N-[2-chloranyl-4-(methylsulfonylamino)-5-oxidanyl-phenyl]-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide Openeye Name: N-[2-chloro-5-hydroxy-4-(methanesulfonamido)phenyl]-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide CAS Name: N-[2-chloro-5-hydroxy-4-(methanesulfonamido)phenyl]-1,1,4-trimethyl-2-piperazin-1-iumcarboxamide IUPAC Name: N-[2-chloro-5-hydroxy-4-(methanesulfonamido)phenyl]-1,1,4-trimethylpiperazin-1-ium-2-carboxamide Traditional Name: N-[2-chloro-5-hydroxy-4-(methanesulfonamido)phenyl]-1,1,4-trimethyl-piperazin-1-ium-2-carboxamide Formula: C15H24ClN4O4S+ MolecularWeight: 391.89346

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](C(C1)C(=O)NC2=CC(=C(C=C2Cl)NS(=O)(=O)C)O)(C)C

Isomeric SMILES

CN1CC[N+](C(C1)C(=O)NC2=CC(=C(C=C2Cl)NS(=O)(=O)C)O)(C)C

InChI

InChI=1S/C15H23ClN4O4S/c1-19-5-6-20(2,3)13(9-19)15(22)17-11-8-14(21)12(7-10(11)16)18-25(4,23)24/h7-8,13,18H,5-6,9H2,1-4H3,(H-,17,21,22)/p+1