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

Systemtic Name: 6-tert-butyl-8-chloranyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide Openeye Name: 6-tert-butyl-8-chloro-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide CAS Name: 6-tert-butyl-8-chloro-3,3-dimethylspiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide IUPAC Name: 6-tert-butyl-8-chloro-3,3-dimethylspiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide Traditional Name: 6-tert-butyl-8-chloro-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,1'-cyclohexane] iodide Formula: C19H29ClINO MolecularWeight: 449.79713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClNO.HI/c1-18(2,3)15-11-14-13-21(4,5)19(9-7-6-8-10-19)22-17(14)16(20)12-15;/h11-12H,6-10,13H2,1-5H3;1H/q+1;/p-1