[3-carboxy-3-(2-hydroxyphenyl)carbonyl-2-oxidanyl-4-oxidanylidene-pentyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-3-(2-hydroxyphenyl)carbonyl-2-oxidanyl-4-oxidanylidene-pentyl]-trimethyl-azanium Openeye Name: [3-carboxy-2-hydroxy-3-(2-hydroxybenzoyl)-4-oxo-pentyl]-trimethyl-ammonium CAS Name: [3-carboxy-2-hydroxy-3-[(2-hydroxyphenyl)-oxomethyl]-4-oxopentyl]-trimethylammonium IUPAC Name: [3-carboxy-2-hydroxy-3-(2-hydroxybenzoyl)-4-oxopentyl]-trimethylazanium Traditional Name: (3-carboxy-2-hydroxy-4-keto-3-salicyloyl-pentyl)-trimethyl-ammonium Formula: C16H22NO6+ MolecularWeight: 324.34898

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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)/p+1