ethyl 4-[3-(3-ethanoylimidazol-1-ium-1-yl)propoxy]benzoate

Systemtic Name: ethyl 4-[3-(3-ethanoylimidazol-1-ium-1-yl)propoxy]benzoate Openeye Name: ethyl 4-[3-(3-acetylimidazol-1-ium-1-yl)propoxy]benzoate CAS Name: 4-[3-(3-acetyl-1-imidazol-1-iumyl)propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-acetylimidazol-1-ium-1-yl)propoxy]benzoate Traditional Name: 4-[3-(3-acetylimidazol-1-ium-1-yl)propoxy]benzoic acid ethyl ester Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCCC[N+]2=CN(C=C2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCCC[N+]2=CN(C=C2)C(=O)C

InChI

InChI=1S/C17H21N2O4/c1-3-22-17(21)15-5-7-16(8-6-15)23-12-4-9-18-10-11-19(13-18)14(2)20/h5-8,10-11,13H,3-4,9,12H2,1-2H3/q+1