2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-dithiophen-2-yl-ethanol iodide

Systemtic Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-dithiophen-2-yl-ethanol iodide Openeye Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-bis(2-thienyl)ethanol iodide CAS Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-dithiophen-2-ylethanol iodide IUPAC Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-dithiophen-2-ylethanol iodide Traditional Name: 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)-1,1-bis(2-thienyl)ethanol iodide Formula: C19H24INOS2 MolecularWeight: 473.43443

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(=CC(C3=CC=CS3)(C4=CC=CS4)O)C2)C.[I-]

Isomeric SMILES

C[N+]1(C2CCC1CC(=CC(C3=CC=CS3)(C4=CC=CS4)O)C2)C.[I-]

InChI

InChI=1S/C19H24NOS2.HI/c1-20(2)15-7-8-16(20)12-14(11-15)13-19(21,17-5-3-9-22-17)18-6-4-10-23-18;/h3-6,9-10,13,15-16,21H,7-8,11-12H2,1-2H3;1H/q+1;/p-1