8,8-dimethyl-3-(4-methylsulfanylphenyl)-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide

Systemtic Name: 8,8-dimethyl-3-(4-methylsulfanylphenyl)-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Openeye Name: 8,8-dimethyl-3-(4-methylsulfanylphenyl)-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide CAS Name: 8,8-dimethyl-3-[4-(methylthio)phenyl]-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide IUPAC Name: 8,8-dimethyl-3-(4-methylsulfanylphenyl)-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Traditional Name: 8,8-dimethyl-3-[4-(methylthio)phenyl]-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Formula: C22H26INO3S MolecularWeight: 511.41621

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2(CC1)OC(=O)C(O2)(C3=CC=CC=C3)C4=CC=C(C=C4)SC)C.[I-]

Isomeric SMILES

C[N+]1(CCC2(CC1)OC(=O)C(O2)(C3=CC=CC=C3)C4=CC=C(C=C4)SC)C.[I-]

InChI

InChI=1S/C22H26NO3S.HI/c1-23(2)15-13-21(14-16-23)25-20(24)22(26-21,17-7-5-4-6-8-17)18-9-11-19(27-3)12-10-18;/h4-12H,13-16H2,1-3H3;1H/q+1;/p-1