1-cyclopentyl-1-phenyl-2-[(1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]ethanol; methanesulfonate

Systemtic Name: 1-cyclopentyl-1-phenyl-2-[(1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]ethanol; methanesulfonate Openeye Name: 1-cyclopentyl-2-(1-isopropylquinuclidin-1-ium-3-yl)oxy-1-phenyl-ethanol; methanesulfonate CAS Name: 1-cyclopentyl-1-phenyl-2-[(1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]ethanol; methanesulfonate IUPAC Name: 1-cyclopentyl-1-phenyl-2-[(1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-yl)oxy]ethanol; methanesulfonate Traditional Name: 1-cyclopentyl-2-(1-isopropylquinuclidin-1-ium-3-yl)oxy-1-phenyl-ethanol mesylate Formula: C24H39NO5S MolecularWeight: 453.63516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]12CCC(CC1)C(C2)OCC(C3CCCC3)(C4=CC=CC=C4)O.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)[N+]12CCC(CC1)C(C2)OCC(C3CCCC3)(C4=CC=CC=C4)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C23H36NO2.CH4O3S/c1-18(2)24-14-12-19(13-15-24)22(16-24)26-17-23(25,21-10-6-7-11-21)20-8-4-3-5-9-20;1-5(2,3)4/h3-5,8-9,18-19,21-22,25H,6-7,10-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1