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

Systemtic Name: [1-(3-pyrrol-1-ylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-(3-pyrrol-1-ylpropyl)quinuclidin-1-ium-2-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-2-yl] ester IUPAC Name: [1-(3-pyrrol-1-ylpropyl)-1-azoniabicyclo[2.2.2]octan-2-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-2-yl] ester Formula: C24H29N2O3S2+ MolecularWeight: 457.62866

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCN5C=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCN5C=CC=C5

InChI

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