1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazine; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazine; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazine CAS Name: 2-hydroxy-2-oxoacetate; 1-(2-nitrophenyl)sulfonyl-4-(1-propyl-4-piperidin-1-iumyl)piperazine IUPAC Name: 2-hydroxy-2-oxoacetate; 1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazine Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazine binoxalate Formula: C20H30N4O8S MolecularWeight: 486.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC[NH+]1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H28N4O4S.C2H2O4/c1-2-9-19-10-7-16(8-11-19)20-12-14-21(15-13-20)27(25,26)18-6-4-3-5-17(18)22(23)24;3-1(4)2(5)6/h3-6,16H,2,7-15H2,1H3;(H,3,4)(H,5,6)