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

Systemtic Name: ethyl 2-(3-thiophen-3-ylcarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanoate Openeye Name: ethyl 2-[3-(thiophene-3-carbonyl)quinuclidin-1-ium-1-yl]acetate CAS Name: 2-[3-[oxo(3-thiophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(thiophene-3-carbonyl)-1-azoniabicyclo[2.2.2]octan-1-yl]acetate Traditional Name: 2-[3-(3-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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H22NO3S/c1-2-20-15(18)10-17-6-3-12(4-7-17)14(9-17)16(19)13-5-8-21-11-13/h5,8,11-12,14H,2-4,6-7,9-10H2,1H3/q+1