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

Systemtic Name: [(3R)-1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [(3R)-1-isopropylquinuclidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [(3R)-1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [(3R)-1-isopropylquinuclidin-1-ium-3-yl] ester Formula: C20H26NO3S2+ MolecularWeight: 392.55534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26NO3S2/c1-14(2)21-9-7-15(8-10-21)16(13-21)24-19(22)20(23,17-5-3-11-25-17)18-6-4-12-26-18/h3-6,11-12,14-16,23H,7-10,13H2,1-2H3/q+1/t15?,16-,21?/m0/s1