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

Systemtic Name: 8-iodanyl-3,3-dimethyl-6-(2-methylbutan-2-yl)spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide Openeye Name: 6-(1,1-dimethylpropyl)-8-iodo-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide CAS Name: 8-iodo-3,3-dimethyl-6-(2-methylbutan-2-yl)spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide IUPAC Name: 8-iodo-3,3-dimethyl-6-(2-methylbutan-2-yl)spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide Traditional Name: 6-tert-amyl-8-iodo-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide Formula: C20H31I2NO MolecularWeight: 555.27518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31INO.HI/c1-6-19(2,3)16-12-15-14-22(4,5)20(10-8-7-9-11-20)23-18(15)17(21)13-16;/h12-13H,6-11,14H2,1-5H3;1H/q+1;/p-1