2-oxidanylidene-2-[[1-[2-(phenylcarbamoylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-1,1-dithiophen-2-yl-ethanolate

Systemtic Name: 2-oxidanylidene-2-[[1-[2-(phenylcarbamoylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-1,1-dithiophen-2-yl-ethanolate Openeye Name: 2-oxo-2-[1-[2-(phenylcarbamoylamino)ethyl]quinuclidin-1-ium-3-yl]oxy-1,1-bis(2-thienyl)ethanolate CAS Name: 2-[[1-[2-[[anilino(oxo)methyl]amino]ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-2-oxo-1,1-dithiophen-2-ylethanolate IUPAC Name: 2-oxo-2-[[1-[2-(phenylcarbamoylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl]oxy]-1,1-dithiophen-2-ylethanolate Traditional Name: 2-keto-2-[1-[2-(phenylcarbamoylamino)ethyl]quinuclidin-1-ium-3-yl]oxy-1,1-bis(2-thienyl)ethanolate Formula: C26H29N3O4S2 MolecularWeight: 511.65616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4S2/c30-24(26(32,22-8-4-16-34-22)23-9-5-17-35-23)33-21-18-29(13-10-19(21)11-14-29)15-12-27-25(31)28-20-6-2-1-3-7-20/h1-9,16-17,19,21H,10-15,18H2,(H2,27,28,31)