[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2,2-dithiophen-2-ylpropanoate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2,2-dithiophen-2-ylpropanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-2-yl] 2,2-bis(2-thienyl)propanoate CAS Name: 2,2-dithiophen-2-ylpropanoic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2,2-dithiophen-2-ylpropanoate Traditional Name: 2,2-bis(2-thienyl)propionic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-2-yl] ester Formula: C27H32NO3S2+ MolecularWeight: 482.67788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)(C2=CC=CS2)C(=O)OC3CC4CC[N+]3(CC4)CCCOC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CS1)(C2=CC=CS2)C(=O)OC3CC4CC[N+]3(CC4)CCCOC5=CC=CC=C5

InChI

InChI=1S/C27H32NO3S2/c1-27(23-10-5-18-32-23,24-11-6-19-33-24)26(29)31-25-20-21-12-15-28(25,16-13-21)14-7-17-30-22-8-3-2-4-9-22/h2-6,8-11,18-19,21,25H,7,12-17,20H2,1H3/q+1