4-(2-methoxycarbonyl-3-oxidanyl-phenoxy)butylazanium chloride

Systemtic Name: 4-(2-methoxycarbonyl-3-oxidanyl-phenoxy)butylazanium chloride Openeye Name: 4-(3-hydroxy-2-methoxycarbonyl-phenoxy)butylammonium chloride CAS Name: 4-(3-hydroxy-2-methoxycarbonylphenoxy)butylammonium chloride IUPAC Name: 4-(3-hydroxy-2-methoxycarbonylphenoxy)butylazanium chloride Traditional Name: 4-(2-carbomethoxy-3-hydroxy-phenoxy)butylammonium chloride Formula: C12H18ClNO4 MolecularWeight: 275.72862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1OCCCC[NH3+])O.[Cl-]

Isomeric SMILES

COC(=O)C1=C(C=CC=C1OCCCC[NH3+])O.[Cl-]

InChI

InChI=1S/C12H17NO4.ClH/c1-16-12(15)11-9(14)5-4-6-10(11)17-8-3-2-7-13;/h4-6,14H,2-3,7-8,13H2,1H3;1H