[3-(3-acetyloxy-4-nitro-phenyl)-2-methyl-3-oxidanylidene-propyl]-trimethyl-azanium iodide

Systemtic Name: [3-(3-acetyloxy-4-nitro-phenyl)-2-methyl-3-oxidanylidene-propyl]-trimethyl-azanium iodide Openeye Name: [3-(3-acetoxy-4-nitro-phenyl)-2-methyl-3-oxo-propyl]-trimethyl-ammonium iodide CAS Name: [3-(3-acetyloxy-4-nitrophenyl)-2-methyl-3-oxopropyl]-trimethylammonium iodide IUPAC Name: [3-(3-acetyloxy-4-nitrophenyl)-2-methyl-3-oxopropyl]-trimethylazanium iodide Traditional Name: [3-(3-acetoxy-4-nitro-phenyl)-3-keto-2-methyl-propyl]-trimethyl-ammonium iodide Formula: C15H21IN2O5 MolecularWeight: 436.24211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N2O5.HI/c1-10(9-17(3,4)5)15(19)12-6-7-13(16(20)21)14(8-12)22-11(2)18;/h6-8,10H,9H2,1-5H3;1H/q+1;/p-1