[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-heptanoate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-heptanoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2-(2-thienyl)heptanoate CAS Name: 2-hydroxy-2-thiophen-2-ylheptanoic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2-thiophen-2-ylheptanoate Traditional Name: 2-hydroxy-2-(2-thienyl)enanthic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] ester Formula: C27H38NO4S+ MolecularWeight: 472.65992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CCCOC4=CC=CC=C4)O

Isomeric SMILES

CCCCCC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CCCOC4=CC=CC=C4)O

InChI

InChI=1S/C27H38NO4S/c1-2-3-7-15-27(30,25-12-8-20-33-25)26(29)32-24-21-28(17-13-22(24)14-18-28)16-9-19-31-23-10-5-4-6-11-23/h4-6,8,10-12,20,22,24,30H,2-3,7,9,13-19,21H2,1H3/q+1