1-azabicyclo[2.2.2]octan-3-yl 4-azanyl-5-chloranyl-2-(2-methylsulfanylethoxy)benzoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 4-azanyl-5-chloranyl-2-(2-methylsulfanylethoxy)benzoate Openeye Name: quinuclidin-3-yl 4-amino-5-chloro-2-(2-methylsulfanylethoxy)benzoate CAS Name: 4-amino-5-chloro-2-[2-(methylthio)ethoxy]benzoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 4-amino-5-chloro-2-(2-methylsulfanylethoxy)benzoate Traditional Name: 4-amino-5-chloro-2-[2-(methylthio)ethoxy]benzoic acid quinuclidin-3-yl ester Formula: C17H23ClN2O3S MolecularWeight: 370.89412

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC1=CC(=C(C=C1C(=O)OC2CN3CCC2CC3)Cl)N

Isomeric SMILES

CSCCOC1=CC(=C(C=C1C(=O)OC2CN3CCC2CC3)Cl)N

InChI

InChI=1S/C17H23ClN2O3S/c1-24-7-6-22-15-9-14(19)13(18)8-12(15)17(21)23-16-10-20-4-2-11(16)3-5-20/h8-9,11,16H,2-7,10,19H2,1H3