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

Systemtic Name: 3-(3-chlorophenyl)-8,8-dimethyl-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Openeye Name: 3-(3-chlorophenyl)-8,8-dimethyl-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide CAS Name: 3-(3-chlorophenyl)-8,8-dimethyl-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide IUPAC Name: 3-(3-chlorophenyl)-8,8-dimethyl-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Traditional Name: 3-(3-chlorophenyl)-8,8-dimethyl-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Formula: C21H23ClINO3 MolecularWeight: 499.76969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClNO3.HI/c1-23(2)13-11-20(12-14-23)25-19(24)21(26-20,16-7-4-3-5-8-16)17-9-6-10-18(22)15-17;/h3-10,15H,11-14H2,1-2H3;1H/q+1;/p-1