(1-tert-butyl-5-ethyl-3-oxidanylidene-imidazolidin-3-ium-4-yl) benzoate

Systemtic Name: (1-tert-butyl-5-ethyl-3-oxidanylidene-imidazolidin-3-ium-4-yl) benzoate Openeye Name: (1-tert-butyl-5-ethyl-3-oxo-imidazolidin-3-ium-4-yl) benzoate CAS Name: benzoic acid (1-tert-butyl-5-ethyl-3-oxo-4-imidazolidin-3-iumyl) ester IUPAC Name: (1-tert-butyl-5-ethyl-3-oxoimidazolidin-3-ium-4-yl) benzoate Traditional Name: benzoic acid (1-tert-butyl-5-ethyl-3-keto-imidazolidin-3-ium-4-yl) ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C([N+](=O)CN1C(C)(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1C([N+](=O)CN1C(C)(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H23N2O3/c1-5-13-14(18(20)11-17(13)16(2,3)4)21-15(19)12-9-7-6-8-10-12/h6-10,13-14H,5,11H2,1-4H3/q+1