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

Systemtic Name: 8,8-dimethyl-3-phenyl-3-(4-phenylphenyl)-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Openeye Name: 8,8-dimethyl-3-phenyl-3-(4-phenylphenyl)-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide CAS Name: 8,8-dimethyl-3-phenyl-3-(4-phenylphenyl)-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide IUPAC Name: 8,8-dimethyl-3-phenyl-3-(4-phenylphenyl)-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Traditional Name: 8,8-dimethyl-3-phenyl-3-(4-phenylphenyl)-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Formula: C27H28INO3 MolecularWeight: 541.42059

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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)C5=CC=CC=C5)C.[I-]

Isomeric SMILES

C[N+]1(CCC2(CC1)OC(=O)C(O2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5)C.[I-]

InChI

InChI=1S/C27H28NO3.HI/c1-28(2)19-17-26(18-20-28)30-25(29)27(31-26,23-11-7-4-8-12-23)24-15-13-22(14-16-24)21-9-5-3-6-10-21;/h3-16H,17-20H2,1-2H3;1H/q+1;/p-1