N-[(2-phenylsulfanylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

Systemtic Name: N-[(2-phenylsulfanylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Openeye Name: N-[(2-phenylsulfanylphenyl)methyl]quinuclidin-3-amine CAS Name: N-[[2-(phenylthio)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine IUPAC Name: N-[(2-phenylsulfanylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Traditional Name: [2-(phenylthio)benzyl]-quinuclidin-3-yl-amine Formula: C20H24N2S MolecularWeight: 324.48296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NCC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1CN2CCC1C(C2)NCC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C20H24N2S/c1-2-7-18(8-3-1)23-20-9-5-4-6-17(20)14-21-19-15-22-12-10-16(19)11-13-22/h1-9,16,19,21H,10-15H2