1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-(3-prop-1-en-2-ylthiophen-2-yl)ethanoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 2-oxidanyl-2-(3-prop-1-en-2-ylthiophen-2-yl)ethanoate Openeye Name: quinuclidin-3-yl 2-hydroxy-2-(3-isopropenyl-2-thienyl)acetate CAS Name: 2-hydroxy-2-[3-(1-methylethenyl)-2-thiophenyl]acetic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-(3-prop-1-en-2-ylthiophen-2-yl)acetate Traditional Name: 2-hydroxy-2-(3-isopropenyl-2-thienyl)acetic acid quinuclidin-3-yl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=C(SC=C1)C(C(=O)OC2CN3CCC2CC3)O

Isomeric SMILES

CC(=C)C1=C(SC=C1)C(C(=O)OC2CN3CCC2CC3)O

InChI

InChI=1S/C16H21NO3S/c1-10(2)12-5-8-21-15(12)14(18)16(19)20-13-9-17-6-3-11(13)4-7-17/h5,8,11,13-14,18H,1,3-4,6-7,9H2,2H3