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

Systemtic Name: 6-tert-butyl-8-iodanyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,2'-adamantane] iodide Openeye Name: 6-tert-butyl-8-iodo-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,2'-adamantane] iodide CAS Name: 6-tert-butyl-8-iodo-3,3-dimethylspiro[4H-1,3-benzoxazin-3-ium-2,2'-adamantane] iodide IUPAC Name: 6-tert-butyl-8-iodo-3,3-dimethylspiro[4H-1,3-benzoxazin-3-ium-2,2'-adamantane] iodide Traditional Name: 6-tert-butyl-8-iodo-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,2'-adamantane] iodide Formula: C23H33I2NO MolecularWeight: 593.32316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C[N+](C3(O2)C4CC5CC(C4)CC3C5)(C)C)I.[I-]

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C[N+](C3(O2)C4CC5CC(C4)CC3C5)(C)C)I.[I-]

InChI

InChI=1S/C23H33INO.HI/c1-22(2,3)17-11-16-13-25(4,5)23(26-21(16)20(24)12-17)18-7-14-6-15(9-18)10-19(23)8-14;/h11-12,14-15,18-19H,6-10,13H2,1-5H3;1H/q+1;/p-1