(1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl)-dithiophen-2-yl-methanol bromide

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl)-dithiophen-2-yl-methanol bromide Openeye Name: (1-phenethylquinuclidin-1-ium-4-yl)-bis(2-thienyl)methanol bromide CAS Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl)-dithiophen-2-ylmethanol bromide IUPAC Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl)-dithiophen-2-ylmethanol bromide Traditional Name: (1-phenethylquinuclidin-1-ium-4-yl)-bis(2-thienyl)methanol bromide Formula: C24H28BrNOS2 MolecularWeight: 490.51922

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)C(C3=CC=CS3)(C4=CC=CS4)O)CCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CS3)(C4=CC=CS4)O)CCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C24H28NOS2.BrH/c26-24(21-8-4-18-27-21,22-9-5-19-28-22)23-11-15-25(16-12-23,17-13-23)14-10-20-6-2-1-3-7-20;/h1-9,18-19,26H,10-17H2;1H/q+1;/p-1