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

Systemtic Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2,2-dithiophen-2-ylethanoate Openeye Name: [(3R)-1-allylquinuclidin-1-ium-3-yl] 2,2-bis(2-thienyl)acetate CAS Name: 2,2-dithiophen-2-ylacetic acid [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2,2-dithiophen-2-ylacetate Traditional Name: 2,2-bis(2-thienyl)acetic acid [(3R)-1-allylquinuclidin-1-ium-3-yl] ester Formula: C20H24NO2S2+ MolecularWeight: 374.54006

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H24NO2S2/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/q+1/t15?,16-,21?/m0/s1