3-(5-carboxy-2-oxidanyl-phenoxy)propyl-trimethyl-azanium chloride

Systemtic Name: 3-(5-carboxy-2-oxidanyl-phenoxy)propyl-trimethyl-azanium chloride Openeye Name: 3-(5-carboxy-2-hydroxy-phenoxy)propyl-trimethyl-ammonium chloride CAS Name: 3-(5-carboxy-2-hydroxyphenoxy)propyl-trimethylammonium chloride IUPAC Name: 3-(5-carboxy-2-hydroxyphenoxy)propyl-trimethylazanium chloride Traditional Name: 3-(5-carboxy-2-hydroxy-phenoxy)propyl-trimethyl-ammonium chloride Formula: C13H20ClNO4 MolecularWeight: 289.7552

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=C(C=CC(=C1)C(=O)O)O.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCCOC1=C(C=CC(=C1)C(=O)O)O.[Cl-]

InChI

InChI=1S/C13H19NO4.ClH/c1-14(2,3)7-4-8-18-12-9-10(13(16)17)5-6-11(12)15;/h5-6,9H,4,7-8H2,1-3H3,(H-,15,16,17);1H