2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; 1-pyridin-4-yl-4-pyrrolidin-1-ium-1-yl-butan-1-one

Systemtic Name: 2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; 1-pyridin-4-yl-4-pyrrolidin-1-ium-1-yl-butan-1-one Openeye Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; 1-(4-pyridyl)-4-pyrrolidin-1-ium-1-yl-butan-1-one CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; 1-pyridin-4-yl-4-(1-pyrrolidin-1-iumyl)-1-butanone IUPAC Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; 1-pyridin-4-yl-4-pyrrolidin-1-ium-1-ylbutan-1-one Traditional Name: 2-(carboxymethyl)-2,4-dihydroxy-4-keto-butyrate; 1-(4-pyridyl)-4-pyrrolidin-1-ium-1-yl-butan-1-one Formula: C19H26N2O8 MolecularWeight: 410.41834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCC(=O)C2=CC=NC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](C1)CCCC(=O)C2=CC=NC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

InChI

InChI=1S/C13H18N2O.C6H8O7/c16-13(12-5-7-14-8-6-12)4-3-11-15-9-1-2-10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-8H,1-4,9-11H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)