[1-[3-[4-(hydroxymethyl)phenoxy]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate

Systemtic Name: [1-[3-[4-(hydroxymethyl)phenoxy]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-[3-[4-(hydroxymethyl)phenoxy]propyl]quinuclidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetic acid [1-[3-[4-(hydroxymethyl)phenoxy]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-[3-[4-(hydroxymethyl)phenoxy]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetic acid [1-[3-(4-methylolphenoxy)propyl]quinuclidin-1-ium-3-yl] ester Formula: C28H38NO5S+ MolecularWeight: 500.67002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=C(C=C5)CO)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=C(C=C5)CO)O

InChI

InChI=1S/C28H38NO5S/c30-20-21-8-10-24(11-9-21)33-17-4-14-29-15-12-22(13-16-29)25(19-29)34-27(31)28(32,23-5-1-2-6-23)26-7-3-18-35-26/h3,7-11,18,22-23,25,30,32H,1-2,4-6,12-17,19-20H2/q+1