ethanedioic acid; 2-oxidanidyl-3-phenyl-4-piperidin-4-ylsulfanyl-1,2,5-oxadiazol-2-ium

Systemtic Name: ethanedioic acid; 2-oxidanidyl-3-phenyl-4-piperidin-4-ylsulfanyl-1,2,5-oxadiazol-2-ium Openeye Name: oxalic acid; 2-oxido-3-phenyl-4-(4-piperidylsulfanyl)-1,2,5-oxadiazol-2-ium CAS Name: oxalic acid; 2-oxido-3-phenyl-4-(4-piperidinylthio)-1,2,5-oxadiazol-2-ium IUPAC Name: oxalic acid; 2-oxido-3-phenyl-4-piperidin-4-ylsulfanyl-1,2,5-oxadiazol-2-ium Traditional Name: oxalic acid; 2-oxido-3-phenyl-4-(4-piperidylthio)furazan-2-ium Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1SC2=NO[N+](=C2C3=CC=CC=C3)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CNCCC1SC2=NO[N+](=C2C3=CC=CC=C3)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H15N3O2S.C2H2O4/c17-16-12(10-4-2-1-3-5-10)13(15-18-16)19-11-6-8-14-9-7-11;3-1(4)2(5)6/h1-5,11,14H,6-9H2;(H,3,4)(H,5,6)