3-(4-azanyl-2-oxidanyl-phenyl)carbonyloxypropyl-trimethyl-azanium iodide

Systemtic Name: 3-(4-azanyl-2-oxidanyl-phenyl)carbonyloxypropyl-trimethyl-azanium iodide Openeye Name: 3-(4-amino-2-hydroxy-benzoyl)oxypropyl-trimethyl-ammonium iodide CAS Name: 3-[(4-amino-2-hydroxyphenyl)-oxomethoxy]propyl-trimethylammonium iodide IUPAC Name: 3-(4-amino-2-hydroxybenzoyl)oxypropyl-trimethylazanium iodide Traditional Name: 3-(4-amino-2-hydroxy-benzoyl)oxypropyl-trimethyl-ammonium iodide Formula: C13H21IN2O3 MolecularWeight: 380.22191

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC(=O)C1=C(C=C(C=C1)N)O.[I-]

Isomeric SMILES

C[N+](C)(C)CCCOC(=O)C1=C(C=C(C=C1)N)O.[I-]

InChI

InChI=1S/C13H20N2O3.HI/c1-15(2,3)7-4-8-18-13(17)11-6-5-10(14)9-12(11)16;/h5-6,9H,4,7-8H2,1-3H3,(H2-,14,16,17);1H