[3-(2-acetyloxyphenyl)carbonyl-2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [3-(2-acetyloxyphenyl)carbonyl-2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [3-(2-acetoxybenzoyl)-2,4-dihydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [3-[(2-acetyloxyphenyl)-oxomethyl]-2,4-dihydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [3-(2-acetyloxybenzoyl)-2,4-dihydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [3-(2-acetoxybenzoyl)-2,4-dihydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C16H22NO6+ MolecularWeight: 324.34898

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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

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/p+1