N-[1-(4-methylsulfonylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine

Systemtic Name: N-[1-(4-methylsulfonylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine Openeye Name: N-[1-(4-methylsulfonylphenyl)ethyl]quinuclidin-3-amine CAS Name: N-[1-(4-methylsulfonylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine IUPAC Name: N-[1-(4-methylsulfonylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine Traditional Name: 1-(4-mesylphenyl)ethyl-quinuclidin-3-yl-amine Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2CN3CCC2CC3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC2CN3CCC2CC3

InChI

InChI=1S/C16H24N2O2S/c1-12(13-3-5-15(6-4-13)21(2,19)20)17-16-11-18-9-7-14(16)8-10-18/h3-6,12,14,16-17H,7-11H2,1-2H3