trimethyl-[3-oxidanylidene-2-phenyl-3-(4-propoxyphenyl)propyl]azanium iodide

Systemtic Name: trimethyl-[3-oxidanylidene-2-phenyl-3-(4-propoxyphenyl)propyl]azanium iodide Openeye Name: trimethyl-[3-oxo-2-phenyl-3-(4-propoxyphenyl)propyl]ammonium iodide CAS Name: trimethyl-[3-oxo-2-phenyl-3-(4-propoxyphenyl)propyl]ammonium iodide IUPAC Name: trimethyl-[3-oxo-2-phenyl-3-(4-propoxyphenyl)propyl]azanium iodide Traditional Name: [3-keto-2-phenyl-3-(4-propoxyphenyl)propyl]-trimethyl-ammonium iodide Formula: C21H28INO2 MolecularWeight: 453.35699

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(C[N+](C)(C)C)C2=CC=CC=C2.[I-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(C[N+](C)(C)C)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C21H28NO2.HI/c1-5-15-24-19-13-11-18(12-14-19)21(23)20(16-22(2,3)4)17-9-7-6-8-10-17;/h6-14,20H,5,15-16H2,1-4H3;1H/q+1;/p-1