N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride

Systemtic Name: N-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride Openeye Name: N-[(4-benzyloxy-3-ethoxy-phenyl)methyl]quinuclidin-3-amine dihydrochloride CAS Name: N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride IUPAC Name: N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-quinuclidin-3-yl-amine dihydrochloride Formula: C23H32Cl2N2O2 MolecularWeight: 439.41838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2CN3CCC2CC3)OCC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2CN3CCC2CC3)OCC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C23H30N2O2.2ClH/c1-2-26-23-14-19(15-24-21-16-25-12-10-20(21)11-13-25)8-9-22(23)27-17-18-6-4-3-5-7-18;;/h3-9,14,20-21,24H,2,10-13,15-17H2,1H3;2*1H