1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-nosyl-piperazin-1-ium binoxalate Formula: C20H25N3O8S MolecularWeight: 467.4928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2CC3CC2C=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CC2CC3CC2C=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H23N3O4S.C2H2O4/c22-21(23)17-3-5-18(6-4-17)26(24,25)20-9-7-19(8-10-20)13-16-12-14-1-2-15(16)11-14;3-1(4)2(5)6/h1-6,14-16H,7-13H2;(H,3,4)(H,5,6)