[3-(4-aminophenyl)-2-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium chloride

Systemtic Name: [3-(4-aminophenyl)-2-oxidanyl-3-oxidanylidene-propyl]-trimethyl-azanium chloride Openeye Name: [3-(4-aminophenyl)-2-hydroxy-3-oxo-propyl]-trimethyl-ammonium chloride CAS Name: [3-(4-aminophenyl)-2-hydroxy-3-oxopropyl]-trimethylammonium chloride IUPAC Name: [3-(4-aminophenyl)-2-hydroxy-3-oxopropyl]-trimethylazanium chloride Traditional Name: [3-(4-aminophenyl)-2-hydroxy-3-keto-propyl]-trimethyl-ammonium chloride Formula: C12H19ClN2O2 MolecularWeight: 258.74446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2.ClH/c1-14(2,3)8-11(15)12(16)9-4-6-10(13)7-5-9;/h4-7,11,15H,8H2,1-3H3,(H-,13,16);1H