(1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl) ethanoate

Systemtic Name: (1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl) ethanoate Openeye Name: (1-methyl-4-phenyl-quinuclidin-1-ium-3-yl) acetate CAS Name: acetic acid (1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate Traditional Name: acetic acid (1-methyl-4-phenyl-quinuclidin-1-ium-3-yl) ester Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C[N+]2(CCC1(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC(=O)OC1C[N+]2(CCC1(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C16H22NO2/c1-13(18)19-15-12-17(2)10-8-16(15,9-11-17)14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3/q+1