[1-(1-oxidanylidene-1-phenyl-propan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate

Systemtic Name: [1-(1-oxidanylidene-1-phenyl-propan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate Openeye Name: [1-(1-methyl-2-oxo-2-phenyl-ethyl)quinuclidin-1-ium-3-yl] acetate CAS Name: acetic acid [1-(1-oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(1-oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate Traditional Name: acetic acid [1-(2-keto-1-methyl-2-phenyl-ethyl)quinuclidin-1-ium-3-yl] ester Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24NO3/c1-13(18(21)16-6-4-3-5-7-16)19-10-8-15(9-11-19)17(12-19)22-14(2)20/h3-7,13,15,17H,8-12H2,1-2H3/q+1