[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate bromide

Systemtic Name: [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate bromide Openeye Name: [(3R)-1-methylquinuclidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate bromide CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [(3R)-1-methylquinuclidin-1-ium-3-yl] ester bromide Formula: C18H22BrNO3S2 MolecularWeight: 444.40618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22NO3S2.BrH/c1-19-8-6-13(7-9-19)14(12-19)22-17(20)18(21,15-4-2-10-23-15)16-5-3-11-24-16;/h2-5,10-11,13-14,21H,6-9,12H2,1H3;1H/q+1;/p-1/t13?,14-,19?;/m0./s1