2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; dimethyl-[1-[2-(phenylcarbonyl)pyrrol-1-yl]propan-2-yl]azanium

Systemtic Name: 2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; dimethyl-[1-[2-(phenylcarbonyl)pyrrol-1-yl]propan-2-yl]azanium Openeye Name: [2-(2-benzoylpyrrol-1-yl)-1-methyl-ethyl]-dimethyl-ammonium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate CAS Name: 1-(2-benzoyl-1-pyrrolyl)propan-2-yl-dimethylammonium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate IUPAC Name: 1-(2-benzoylpyrrol-1-yl)propan-2-yl-dimethylazanium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate Traditional Name: [2-(2-benzoylpyrrol-1-yl)-1-methyl-ethyl]-dimethyl-ammonium; 2-(carboxymethyl)-2,4-dihydroxy-4-keto-butyrate Formula: C22H28N2O8 MolecularWeight: 448.46632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=C1C(=O)C2=CC=CC=C2)[NH+](C)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

Isomeric SMILES

CC(CN1C=CC=C1C(=O)C2=CC=CC=C2)[NH+](C)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

InChI

InChI=1S/C16H20N2O.C6H8O7/c1-13(17(2)3)12-18-11-7-10-15(18)16(19)14-8-5-4-6-9-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-11,13H,12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)