[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(3S)-quinuclidin-1-ium-3-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(3S)-quinuclidin-1-ium-3-yl] ester Formula: C16H20NO2+ MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)OC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C16H19NO2/c18-16(7-6-13-4-2-1-3-5-13)19-15-12-17-10-8-14(15)9-11-17/h1-7,14-15H,8-12H2/p+1/b7-6+/t15-/m1/s1