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

Systemtic Name: [(3R)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [(3R)-1-heptylquinuclidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [(3R)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-heptyl-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-heptylquinuclidin-1-ium-3-yl] ester Formula: C24H34NO3S2+ MolecularWeight: 448.66166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34NO3S2/c1-2-3-4-5-6-13-25-14-11-19(12-15-25)20(18-25)28-23(26)24(27,21-9-7-16-29-21)22-10-8-17-30-22/h7-10,16-17,19-20,27H,2-6,11-15,18H2,1H3/q+1/t19?,20-,25?/m0/s1