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

Systemtic Name: 6-tert-butyl-8-iodanyl-3,3,4'-trimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide Openeye Name: 6-tert-butyl-8-iodo-3,3,4'-trimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide CAS Name: 6-tert-butyl-8-iodo-3,3,4'-trimethylspiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide IUPAC Name: 6-tert-butyl-8-iodo-3,3,4'-trimethylspiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide Traditional Name: 6-tert-butyl-8-iodo-3,3,4'-trimethyl-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:

CC1CCC2(CC1)[N+](CC3=CC(=CC(=C3O2)I)C(C)(C)C)(C)C.[I-]

Isomeric SMILES

CC1CCC2(CC1)[N+](CC3=CC(=CC(=C3O2)I)C(C)(C)C)(C)C.[I-]

InChI

InChI=1S/C20H31INO.HI/c1-14-7-9-20(10-8-14)22(5,6)13-15-11-16(19(2,3)4)12-17(21)18(15)23-20;/h11-12,14H,7-10,13H2,1-6H3;1H/q+1;/p-1