(1S,5S)-3-[2,2-bis(3-chlorophenyl)ethyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane iodide

Systemtic Name: (1S,5S)-3-[2,2-bis(3-chlorophenyl)ethyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane iodide Openeye Name: (1S,5S)-3-[2,2-bis(3-chlorophenyl)ethyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane iodide CAS Name: (1S,5S)-3-[2,2-bis(3-chlorophenyl)ethyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane iodide IUPAC Name: (1S,5S)-3-[2,2-bis(3-chlorophenyl)ethyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane iodide Traditional Name: (1S,5S)-3-[2,2-bis(3-chlorophenyl)ethyl]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane iodide Formula: C23H28Cl2IN MolecularWeight: 516.28559

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)CC(C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl)C.[I-]

Isomeric SMILES

C[N+]1([C@H]2CC[C@H]1CC(C2)CC(C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl)C.[I-]

InChI

InChI=1S/C23H28Cl2N.HI/c1-26(2)21-9-10-22(26)12-16(11-21)13-23(17-5-3-7-19(24)14-17)18-6-4-8-20(25)15-18;/h3-8,14-16,21-23H,9-13H2,1-2H3;1H/q+1;/p-1/t21-,22-;/m0./s1