2-(2-acetyloxyphenyl)carbonyl-3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: 2-(2-acetyloxyphenyl)carbonyl-3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: 2-(2-acetoxybenzoyl)-3-hydroxy-4-(trimethylammonio)butanoate CAS Name: 2-[(2-acetyloxyphenyl)-oxomethyl]-3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: 2-(2-acetyloxybenzoyl)-3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: 2-(2-acetoxybenzoyl)-3-hydroxy-4-(trimethylammonio)butyrate Formula: C16H21NO6 MolecularWeight: 323.34104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-]

InChI

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