8,8-dimethyl-3,3-dithiophen-2-yl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide

Systemtic Name: 8,8-dimethyl-3,3-dithiophen-2-yl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Openeye Name: 8,8-dimethyl-3,3-bis(2-thienyl)-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide CAS Name: 8,8-dimethyl-3,3-dithiophen-2-yl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide IUPAC Name: 8,8-dimethyl-3,3-dithiophen-2-yl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Traditional Name: 8,8-dimethyl-3,3-bis(2-thienyl)-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Formula: C17H20INO3S2 MolecularWeight: 477.38007

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2(CC1)OC(=O)C(O2)(C3=CC=CS3)C4=CC=CS4)C.[I-]

Isomeric SMILES

C[N+]1(CCC2(CC1)OC(=O)C(O2)(C3=CC=CS3)C4=CC=CS4)C.[I-]

InChI

InChI=1S/C17H20NO3S2.HI/c1-18(2)9-7-16(8-10-18)20-15(19)17(21-16,13-5-3-11-22-13)14-6-4-12-23-14;/h3-6,11-12H,7-10H2,1-2H3;1H/q+1;/p-1