[1-[3-[(3,4-dimethoxyphenyl)carbonylamino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [1-[3-[(3,4-dimethoxyphenyl)carbonylamino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [1-[3-[(3,4-dimethoxybenzoyl)amino]propyl]quinuclidin-1-ium-3-yl] 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [1-[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-[3-[(3,4-dimethoxybenzoyl)amino]propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [1-[3-(veratroylamino)propyl]quinuclidin-1-ium-3-yl] ester Formula: C33H39N2O6+ MolecularWeight: 559.67256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCC[N+]23CCC(CC2)C(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCC[N+]23CCC(CC2)C(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)OC

InChI

InChI=1S/C33H38N2O6/c1-39-28-15-14-25(22-29(28)40-2)31(36)34-18-9-19-35-20-16-24(17-21-35)30(23-35)41-32(37)33(38,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-15,22,24,30,38H,9,16-21,23H2,1-2H3/p+1