6-tert-butyl-8-iodanyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclopentane] iodide

Systemtic Name: 6-tert-butyl-8-iodanyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclopentane] iodide Openeye Name: 6-tert-butyl-8-iodo-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclopentane] iodide CAS Name: 6-tert-butyl-8-iodo-3,3-dimethylspiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclopentane] iodide IUPAC Name: 6-tert-butyl-8-iodo-3,3-dimethylspiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclopentane] iodide Traditional Name: 6-tert-butyl-8-iodo-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclopentane] iodide Formula: C18H27I2NO MolecularWeight: 527.22202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C[N+](C3(O2)CCCC3)(C)C)I.[I-]

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C[N+](C3(O2)CCCC3)(C)C)I.[I-]

InChI

InChI=1S/C18H27INO.HI/c1-17(2,3)14-10-13-12-20(4,5)18(8-6-7-9-18)21-16(13)15(19)11-14;/h10-11H,6-9,12H2,1-5H3;1H/q+1;/p-1