(6-tert-butyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane]-8-yl) ethanoate iodide

Systemtic Name: (6-tert-butyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane]-8-yl) ethanoate iodide Openeye Name: (6-tert-butyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane]-8-yl) acetate iodide CAS Name: acetic acid (6-tert-butyl-3,3-dimethyl-8-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane]yl) ester iodide IUPAC Name: (6-tert-butyl-3,3-dimethylspiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane]-8-yl) acetate iodide Traditional Name: acetic acid (6-tert-butyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane]-8-yl) ester iodide Formula: C21H32INO3 MolecularWeight: 473.38815

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C(=CC(=C1)C(C)(C)C)C[N+](C3(O2)CCCCC3)(C)C.[I-]

Isomeric SMILES

CC(=O)OC1=C2C(=CC(=C1)C(C)(C)C)C[N+](C3(O2)CCCCC3)(C)C.[I-]

InChI

InChI=1S/C21H32NO3.HI/c1-15(23)24-18-13-17(20(2,3)4)12-16-14-22(5,6)21(25-19(16)18)10-8-7-9-11-21;/h12-13H,7-11,14H2,1-6H3;1H/q+1;/p-1