[(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2,2-dithiophen-2-ylethanoate bromide

Systemtic Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2,2-dithiophen-2-ylethanoate bromide Openeye Name: [(3R)-1-allylquinuclidin-1-ium-3-yl] 2,2-bis(2-thienyl)acetate bromide CAS Name: 2,2-dithiophen-2-ylacetic acid [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2,2-dithiophen-2-ylacetate bromide Traditional Name: 2,2-bis(2-thienyl)acetic acid [(3R)-1-allylquinuclidin-1-ium-3-yl] ester bromide Formula: C20H24BrNO2S2 MolecularWeight: 454.44406

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CS3)C4=CC=CS4.[Br-]

Isomeric SMILES

C=CC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(C3=CC=CS3)C4=CC=CS4.[Br-]

InChI

InChI=1S/C20H24NO2S2.BrH/c1-2-9-21-10-7-15(8-11-21)16(14-21)23-20(22)19(17-5-3-12-24-17)18-6-4-13-25-18;/h2-6,12-13,15-16,19H,1,7-11,14H2;1H/q+1;/p-1/t15?,16-,21?;/m0./s1