[1-(3-pyrrol-1-ylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-(3-pyrrol-1-ylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-(3-pyrrol-1-ylpropyl)quinuclidin-1-ium-4-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-[3-(1-pyrrolyl)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-(3-pyrrol-1-ylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [1-(3-pyrrol-1-ylpropyl)quinuclidin-1-ium-4-yl] ester Formula: C24H29N2O3S2+ MolecularWeight: 457.62866

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCN5C=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCN5C=CC=C5

InChI

InChI=1S/C24H29N2O3S2/c27-22(24(28,20-6-3-18-30-20)21-7-4-19-31-21)29-23-8-15-26(16-9-23,17-10-23)14-5-13-25-11-1-2-12-25/h1-4,6-7,11-12,18-19,28H,5,8-10,13-17H2/q+1