[1-(3-naphthalen-1-yloxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate

Systemtic Name: [1-(3-naphthalen-1-yloxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: [1-[3-(1-naphthyloxy)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-(1-naphthalenyloxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-naphthalen-1-yloxypropyl)-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-(1-naphthoxy)propyl]quinuclidin-1-ium-3-yl] ester Formula: C31H38NO4S+ MolecularWeight: 520.70272

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=CC6=CC=CC=C65)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C[N+]4(CCC3CC4)CCCOC5=CC=CC6=CC=CC=C65)O

InChI

InChI=1S/C31H38NO4S/c33-30(31(34,25-10-2-3-11-25)29-14-6-21-37-29)36-28-22-32(18-15-24(28)16-19-32)17-7-20-35-27-13-5-9-23-8-1-4-12-26(23)27/h1,4-6,8-9,12-14,21,24-25,28,34H,2-3,7,10-11,15-20,22H2/q+1