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

Systemtic Name: trimethyl-[3-(4-nitrophenyl)-2-oxidanyl-3-oxidanylidene-propyl]azanium chloride Openeye Name: [2-hydroxy-3-(4-nitrophenyl)-3-oxo-propyl]-trimethyl-ammonium chloride CAS Name: [2-hydroxy-3-(4-nitrophenyl)-3-oxopropyl]-trimethylammonium chloride IUPAC Name: [2-hydroxy-3-(4-nitrophenyl)-3-oxopropyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-3-keto-3-(4-nitrophenyl)propyl]-trimethyl-ammonium chloride Formula: C12H17ClN2O4 MolecularWeight: 288.72738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2O4.ClH/c1-14(2,3)8-11(15)12(16)9-4-6-10(7-5-9)13(17)18;/h4-7,11,15H,8H2,1-3H3;1H/q+1;/p-1