trimethyl-[3-oxidanylidene-3-(4-phenoxyphenyl)propyl]azanium iodide

Systemtic Name: trimethyl-[3-oxidanylidene-3-(4-phenoxyphenyl)propyl]azanium iodide Openeye Name: trimethyl-[3-oxo-3-(4-phenoxyphenyl)propyl]ammonium iodide CAS Name: trimethyl-[3-oxo-3-(4-phenoxyphenyl)propyl]ammonium iodide IUPAC Name: trimethyl-[3-oxo-3-(4-phenoxyphenyl)propyl]azanium iodide Traditional Name: [3-keto-3-(4-phenoxyphenyl)propyl]-trimethyl-ammonium iodide Formula: C18H22INO2 MolecularWeight: 411.27725

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+](C)(C)CCC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2.[I-]

InChI

InChI=1S/C18H22NO2.HI/c1-19(2,3)14-13-18(20)15-9-11-17(12-10-15)21-16-7-5-4-6-8-16;/h4-12H,13-14H2,1-3H3;1H/q+1;/p-1