1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylimidazol-3-ium-1-yl)methanone iodide

Systemtic Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylimidazol-3-ium-1-yl)methanone iodide Openeye Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylimidazol-3-ium-1-yl)methanone iodide CAS Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-1-imidazol-3-iumyl)methanone iodide IUPAC Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylimidazol-3-ium-1-yl)methanone iodide Traditional Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylimidazol-3-ium-1-yl)methanone iodide Formula: C12H18IN3O3 MolecularWeight: 379.19409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=O)N2CCC3(CC2)OCCO3.[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)C(=O)N2CCC3(CC2)OCCO3.[I-]

InChI

InChI=1S/C12H18N3O3.HI/c1-13-6-7-15(10-13)11(16)14-4-2-12(3-5-14)17-8-9-18-12;/h6-7,10H,2-5,8-9H2,1H3;1H/q+1;/p-1