N,3-dimethyl-N-(oxan-4-yl)imidazol-3-ium-1-carboxamide iodide

Systemtic Name: N,3-dimethyl-N-(oxan-4-yl)imidazol-3-ium-1-carboxamide iodide Openeye Name: N,3-dimethyl-N-tetrahydropyran-4-yl-imidazol-3-ium-1-carboxamide iodide CAS Name: N,3-dimethyl-N-(4-oxanyl)-1-imidazol-3-iumcarboxamide iodide IUPAC Name: N,3-dimethyl-N-(oxan-4-yl)imidazol-3-ium-1-carboxamide iodide Traditional Name: N,3-dimethyl-N-tetrahydropyran-4-yl-imidazol-3-ium-1-carboxamide iodide Formula: C11H18IN3O2 MolecularWeight: 351.18399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=O)N(C)C2CCOCC2.[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)C(=O)N(C)C2CCOCC2.[I-]

InChI

InChI=1S/C11H18N3O2.HI/c1-12-5-6-14(9-12)11(15)13(2)10-3-7-16-8-4-10;/h5-6,9-10H,3-4,7-8H2,1-2H3;1H/q+1;/p-1