1-azabicyclo[2.2.2]octan-3-yl-[4-phenylsulfanyl-2-(pyridin-3-ylmethyl)phenyl]carbamic acid

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl-[4-phenylsulfanyl-2-(pyridin-3-ylmethyl)phenyl]carbamic acid Openeye Name: [4-phenylsulfanyl-2-(3-pyridylmethyl)phenyl]-quinuclidin-3-yl-carbamic acid CAS Name: 1-azabicyclo[2.2.2]octan-3-yl-[4-(phenylthio)-2-(3-pyridinylmethyl)phenyl]carbamic acid IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl-[4-phenylsulfanyl-2-(pyridin-3-ylmethyl)phenyl]carbamic acid Traditional Name: [4-(phenylthio)-2-(3-pyridylmethyl)phenyl]-quinuclidin-3-yl-carbamic acid Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)N(C3=C(C=C(C=C3)SC4=CC=CC=C4)CC5=CN=CC=C5)C(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)N(C3=C(C=C(C=C3)SC4=CC=CC=C4)CC5=CN=CC=C5)C(=O)O

InChI

InChI=1S/C26H27N3O2S/c30-26(31)29(25-18-28-13-10-20(25)11-14-28)24-9-8-23(32-22-6-2-1-3-7-22)16-21(24)15-19-5-4-12-27-17-19/h1-9,12,16-17,20,25H,10-11,13-15,18H2,(H,30,31)