(3-acetyloxy-1-azoniabicyclo[2.2.2]octan-1-yl)methyl 2-cyclopentyl-2-phenyl-ethanoate chloride

Systemtic Name: (3-acetyloxy-1-azoniabicyclo[2.2.2]octan-1-yl)methyl 2-cyclopentyl-2-phenyl-ethanoate chloride Openeye Name: (3-acetoxyquinuclidin-1-ium-1-yl)methyl 2-cyclopentyl-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-phenylacetic acid (3-acetyloxy-1-azoniabicyclo[2.2.2]octan-1-yl)methyl ester chloride IUPAC Name: (3-acetyloxy-1-azoniabicyclo[2.2.2]octan-1-yl)methyl 2-cyclopentyl-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-phenyl-acetic acid (3-acetoxyquinuclidin-1-ium-1-yl)methyl ester chloride Formula: C23H32ClNO4 MolecularWeight: 421.95748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C[N+]2(CCC1CC2)COC(=O)C(C3CCCC3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC(=O)OC1C[N+]2(CCC1CC2)COC(=O)C(C3CCCC3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H32NO4.ClH/c1-17(25)28-21-15-24(13-11-18(21)12-14-24)16-27-23(26)22(20-9-5-6-10-20)19-7-3-2-4-8-19;/h2-4,7-8,18,20-22H,5-6,9-16H2,1H3;1H/q+1;/p-1