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

Systemtic Name: ethyl 2-(3-thiophen-3-ylcarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanoate bromide Openeye Name: ethyl 2-[3-(thiophene-3-carbonyl)quinuclidin-1-ium-1-yl]acetate bromide CAS Name: 2-[3-[oxo(3-thiophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-(thiophene-3-carbonyl)-1-azoniabicyclo[2.2.2]octan-1-yl]acetate bromide Traditional Name: 2-[3-(3-thenoyl)quinuclidin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C16H22BrNO3S MolecularWeight: 388.31978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22NO3S.BrH/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;1H/q+1;/p-1