1-(3-methoxyphenyl)-3-(3-methylimidazol-3-ium-1-yl)propan-1-one iodide

Systemtic Name: 1-(3-methoxyphenyl)-3-(3-methylimidazol-3-ium-1-yl)propan-1-one iodide Openeye Name: 1-(3-methoxyphenyl)-3-(3-methylimidazol-3-ium-1-yl)propan-1-one iodide CAS Name: 1-(3-methoxyphenyl)-3-(3-methyl-1-imidazol-3-iumyl)-1-propanone iodide IUPAC Name: 1-(3-methoxyphenyl)-3-(3-methylimidazol-3-ium-1-yl)propan-1-one iodide Traditional Name: 1-(3-methoxyphenyl)-3-(3-methylimidazol-3-ium-1-yl)propan-1-one iodide Formula: C14H17IN2O2 MolecularWeight: 372.20145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N2O2.HI/c1-15-8-9-16(11-15)7-6-14(17)12-4-3-5-13(10-12)18-2;/h3-5,8-11H,6-7H2,1-2H3;1H/q+1;/p-1