[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-dithiophen-2-yl-methanol bromide

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-dithiophen-2-yl-methanol bromide Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]-bis(2-thienyl)methanol bromide CAS Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-dithiophen-2-ylmethanol bromide IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-dithiophen-2-ylmethanol bromide Traditional Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]-bis(2-thienyl)methanol bromide Formula: C25H30BrNO2S2 MolecularWeight: 520.5452

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C25H30NO2S2.BrH/c27-25(22-9-4-19-29-22,23-10-5-20-30-23)24-11-15-26(16-12-24,17-13-24)14-6-18-28-21-7-2-1-3-8-21;/h1-5,7-10,19-20,27H,6,11-18H2;1H/q+1;/p-1