2-(diphenylmethyl)-N-[(5-ethylsulfanyl-2-methoxy-phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

Systemtic Name: 2-(diphenylmethyl)-N-[(5-ethylsulfanyl-2-methoxy-phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Openeye Name: 2-benzhydryl-N-[(5-ethylsulfanyl-2-methoxy-phenyl)methyl]quinuclidin-3-amine CAS Name: 2-(diphenylmethyl)-N-[[5-(ethylthio)-2-methoxyphenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine IUPAC Name: 2-benzhydryl-N-[(5-ethylsulfanyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Traditional Name: (2-benzhydrylquinuclidin-3-yl)-[5-(ethylthio)-2-methoxy-benzyl]amine Formula: C30H36N2OS MolecularWeight: 472.68464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C=C1)OC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3

Isomeric SMILES

CCSC1=CC(=C(C=C1)OC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3

InChI

InChI=1S/C30H36N2OS/c1-3-34-26-14-15-27(33-2)25(20-26)21-31-29-24-16-18-32(19-17-24)30(29)28(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,24,28-31H,3,16-19,21H2,1-2H3