2-(3-methylimidazol-3-ium-1-yl)ethyl 4-iodanylbenzoate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-iodanylbenzoate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-iodobenzoate CAS Name: 4-iodobenzoic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 4-iodobenzoate Traditional Name: 4-iodobenzoic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester Formula: C13H14IN2O2+ MolecularWeight: 357.16693

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C[N+]1=CN(C=C1)CCOC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C13H14IN2O2/c1-15-6-7-16(10-15)8-9-18-13(17)11-2-4-12(14)5-3-11/h2-7,10H,8-9H2,1H3/q+1