2-[(4-chlorophenyl)methoxy-(3-methoxyphenyl)methyl]-1,3-dimethyl-imidazol-1-ium iodide

Systemtic Name: 2-[(4-chlorophenyl)methoxy-(3-methoxyphenyl)methyl]-1,3-dimethyl-imidazol-1-ium iodide Openeye Name: 2-[(4-chlorophenyl)methoxy-(3-methoxyphenyl)methyl]-1,3-dimethyl-imidazol-1-ium iodide CAS Name: 2-[(4-chlorophenyl)methoxy-(3-methoxyphenyl)methyl]-1,3-dimethylimidazol-1-ium iodide IUPAC Name: 2-[(4-chlorophenyl)methoxy-(3-methoxyphenyl)methyl]-1,3-dimethylimidazol-1-ium iodide Traditional Name: 2-[(4-chlorobenzyl)oxy-(3-methoxyphenyl)methyl]-1,3-dimethyl-imidazol-1-ium iodide Formula: C20H22ClIN2O2 MolecularWeight: 484.75835

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1C(C2=CC(=CC=C2)OC)OCC3=CC=C(C=C3)Cl)C.[I-]

Isomeric SMILES

CN1C=C[N+](=C1C(C2=CC(=CC=C2)OC)OCC3=CC=C(C=C3)Cl)C.[I-]

InChI

InChI=1S/C20H22ClN2O2.HI/c1-22-11-12-23(2)20(22)19(16-5-4-6-18(13-16)24-3)25-14-15-7-9-17(21)10-8-15;/h4-13,19H,14H2,1-3H3;1H/q+1;/p-1