(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate Openeye Name: (1-methylquinuclidin-1-ium-3-yl) 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid (1-methylquinuclidin-1-ium-3-yl) ester Formula: C18H26NO2+ MolecularWeight: 288.40454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)C

InChI

InChI=1S/C18H26NO2/c1-3-16(14-7-5-4-6-8-14)18(20)21-17-13-19(2)11-9-15(17)10-12-19/h4-8,15-17H,3,9-13H2,1-2H3/q+1