[1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-(2-oxidanylidene-2-phenylazanyl-ethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-(2-anilino-2-oxo-ethyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-(2-anilino-2-oxoethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(2-anilino-2-oxoethyl)-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 [1-(2-anilino-2-keto-ethyl)quinuclidin-1-ium-3-yl] ester Formula: C25H27N2O4S2+ MolecularWeight: 483.62288

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H26N2O4S2/c28-23(26-19-6-2-1-3-7-19)17-27-12-10-18(11-13-27)20(16-27)31-24(29)25(30,21-8-4-14-32-21)22-9-5-15-33-22/h1-9,14-15,18,20,30H,10-13,16-17H2/p+1