N,3-dimethyl-N-(phenylmethyl)imidazol-3-ium-1-carboxamide iodide

Systemtic Name: N,3-dimethyl-N-(phenylmethyl)imidazol-3-ium-1-carboxamide iodide Openeye Name: N-benzyl-N,3-dimethyl-imidazol-3-ium-1-carboxamide iodide CAS Name: N,3-dimethyl-N-(phenylmethyl)-1-imidazol-3-iumcarboxamide iodide IUPAC Name: N-benzyl-N,3-dimethylimidazol-3-ium-1-carboxamide iodide Traditional Name: N-benzyl-N,3-dimethyl-imidazol-3-ium-1-carboxamide iodide Formula: C13H16IN3O MolecularWeight: 357.19011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C(=O)N(C)CC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)C(=O)N(C)CC2=CC=CC=C2.[I-]

InChI

InChI=1S/C13H16N3O.HI/c1-14-8-9-16(11-14)13(17)15(2)10-12-6-4-3-5-7-12;/h3-9,11H,10H2,1-2H3;1H/q+1;/p-1