ethyl 2-(3-thiophen-2-ylcarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanoate

Systemtic Name: ethyl 2-(3-thiophen-2-ylcarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanoate Openeye Name: ethyl 2-[3-(thiophene-2-carbonyl)quinuclidin-1-ium-1-yl]acetate CAS Name: 2-[3-[oxo(thiophen-2-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(thiophene-2-carbonyl)-1-azoniabicyclo[2.2.2]octan-1-yl]acetate Traditional Name: 2-[3-(2-thenoyl)quinuclidin-1-ium-1-yl]acetic acid ethyl ester Formula: C16H22NO3S+ MolecularWeight: 308.41578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]12CCC(CC1)C(C2)C(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C[N+]12CCC(CC1)C(C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H22NO3S/c1-2-20-15(18)11-17-7-5-12(6-8-17)13(10-17)16(19)14-4-3-9-21-14/h3-4,9,12-13H,2,5-8,10-11H2,1H3/q+1