1-azoniabicyclo[2.2.2]octan-3-yl-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium dichloride

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium dichloride Openeye Name: (4-benzyloxy-3-ethoxy-phenyl)methyl-quinuclidin-1-ium-3-yl-ammonium dichloride CAS Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]ammonium dichloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium dichloride Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-quinuclidin-1-ium-3-yl-ammonium dichloride Formula: C23H32Cl2N2O2 MolecularWeight: 439.41838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C2C[NH+]3CCC2CC3)OCC4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C2C[NH+]3CCC2CC3)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