6-tert-butyl-8-iodanyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,4'-piperidine] chloride hydrochloride

Systemtic Name: 6-tert-butyl-8-iodanyl-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,4'-piperidine] chloride hydrochloride Openeye Name: 6-tert-butyl-8-iodo-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,4'-piperidine] chloride hydrochloride CAS Name: 6-tert-butyl-8-iodo-3,3-dimethylspiro[4H-1,3-benzoxazin-3-ium-2,4'-piperidine] chloride hydrochloride IUPAC Name: 6-tert-butyl-8-iodo-3,3-dimethylspiro[4H-1,3-benzoxazin-3-ium-2,4'-piperidine] chloride hydrochloride Traditional Name: 6-tert-butyl-8-iodo-3,3-dimethyl-spiro[4H-1,3-benzoxazin-3-ium-2,4'-piperidine] chloride hydrochloride Formula: C18H29Cl2IN2O MolecularWeight: 487.24613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C[N+](C3(O2)CCNCC3)(C)C)I.Cl.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C[N+](C3(O2)CCNCC3)(C)C)I.Cl.[Cl-]

InChI

InChI=1S/C18H28IN2O.2ClH/c1-17(2,3)14-10-13-12-21(4,5)18(6-8-20-9-7-18)22-16(13)15(19)11-14;;/h10-11,20H,6-9,12H2,1-5H3;2*1H/q+1;;/p-1