3,5-bis(chloranyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methoxy-6-oxidanyl-benzamide; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 3,5-bis(chloranyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methoxy-6-oxidanyl-benzamide; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-hydroxy-6-methoxy-benzamide; (2R,3R)-2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 3,5-dichloro-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-hydroxy-6-methoxybenzamide; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-hydroxy-6-methoxybenzamide; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate Traditional Name: 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-hydroxy-6-methoxy-benzamide; (2R,3R)-2,3,4-trihydroxy-4-keto-butyrate Formula: C19H26Cl2N2O9 MolecularWeight: 497.32374

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=C(C(=CC(=C2OC)Cl)Cl)O.C(C(C(=O)[O-])O)(C(=O)O)O

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2OC)Cl)Cl)O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O

InChI

InChI=1S/C15H20Cl2N2O3.C4H6O6/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2;5-1(3(7)8)2(6)4(9)10/h7,9,20H,3-6,8H2,1-2H3,(H,18,21);1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m01/s1