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

Systemtic Name: (1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: (1-prop-2-ynylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid (1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-prop-2-ynyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid (1-propargylquinuclidin-1-ium-3-yl) ester Formula: C20H22NO3S2+ MolecularWeight: 388.52358

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O

Isomeric SMILES

C#CC[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O

InChI

InChI=1S/C20H22NO3S2/c1-2-9-21-10-7-15(8-11-21)16(14-21)24-19(22)20(23,17-5-3-12-25-17)18-6-4-13-26-18/h1,3-6,12-13,15-16,23H,7-11,14H2/q+1