1-[2-(2-bromanyl-6-methoxy-phenyl)carbonylpyrrol-1-yl]propan-2-yl-dimethyl-azanium; 2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 1-[2-(2-bromanyl-6-methoxy-phenyl)carbonylpyrrol-1-yl]propan-2-yl-dimethyl-azanium; 2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: [2-[2-(2-bromo-6-methoxy-benzoyl)pyrrol-1-yl]-1-methyl-ethyl]-dimethyl-ammonium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate CAS Name: 1-[2-[(2-bromo-6-methoxyphenyl)-oxomethyl]-1-pyrrolyl]propan-2-yl-dimethylammonium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate IUPAC Name: 1-[2-(2-bromo-6-methoxybenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate Traditional Name: [2-[2-(2-bromo-6-methoxy-benzoyl)pyrrol-1-yl]-1-methyl-ethyl]-dimethyl-ammonium; 2-(carboxymethyl)-2,4-dihydroxy-4-keto-butyrate Formula: C23H29BrN2O9 MolecularWeight: 557.38836

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=C1C(=O)C2=C(C=CC=C2Br)OC)[NH+](C)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

Isomeric SMILES

CC(CN1C=CC=C1C(=O)C2=C(C=CC=C2Br)OC)[NH+](C)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

InChI

InChI=1S/C17H21BrN2O2.C6H8O7/c1-12(19(2)3)11-20-10-6-8-14(20)17(21)16-13(18)7-5-9-15(16)22-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-10,12H,11H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)