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

Systemtic Name: 2-(2-acetyloxyphenyl)carbonyl-3-oxidanyl-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 2-(2-acetoxybenzoyl)-3-hydroxy-4-(trimethylammonio)butanoate hydrochloride CAS Name: 2-[(2-acetyloxyphenyl)-oxomethyl]-3-hydroxy-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 2-(2-acetyloxybenzoyl)-3-hydroxy-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 2-(2-acetoxybenzoyl)-3-hydroxy-4-(trimethylammonio)butyrate hydrochloride Formula: C16H22ClNO6 MolecularWeight: 359.80198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO6.ClH/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;1H