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

Systemtic Name: trimethyl-[3-(3-nitrophenyl)-2-oxidanyl-3-oxidanylidene-propyl]azanium iodide Openeye Name: [2-hydroxy-3-(3-nitrophenyl)-3-oxo-propyl]-trimethyl-ammonium iodide CAS Name: [2-hydroxy-3-(3-nitrophenyl)-3-oxopropyl]-trimethylammonium iodide IUPAC Name: [2-hydroxy-3-(3-nitrophenyl)-3-oxopropyl]-trimethylazanium iodide Traditional Name: [2-hydroxy-3-keto-3-(3-nitrophenyl)propyl]-trimethyl-ammonium iodide Formula: C12H17IN2O4 MolecularWeight: 380.17885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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