2-ethanoyl-2-(2-hydroxyphenyl)carbonyl-3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: 2-ethanoyl-2-(2-hydroxyphenyl)carbonyl-3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: 2-acetyl-3-hydroxy-2-(2-hydroxybenzoyl)-4-(trimethylammonio)butanoate CAS Name: 2-acetyl-3-hydroxy-2-[(2-hydroxyphenyl)-oxomethyl]-4-(trimethylammonio)butanoate IUPAC Name: 2-acetyl-3-hydroxy-2-(2-hydroxybenzoyl)-4-(trimethylazaniumyl)butanoate Traditional Name: 2-acetyl-3-hydroxy-2-salicyloyl-4-(trimethylammonio)butyrate Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C[N+](C)(C)C)O)(C(=O)C1=CC=CC=C1O)C(=O)[O-]

Isomeric SMILES

CC(=O)C(C(C[N+](C)(C)C)O)(C(=O)C1=CC=CC=C1O)C(=O)[O-]

InChI

InChI=1S/C16H21NO6/c1-10(18)16(15(22)23,13(20)9-17(2,3)4)14(21)11-7-5-6-8-12(11)19/h5-8,13,20H,9H2,1-4H3,(H-,19,21,22,23)