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

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl (E)-3-phenylprop-2-enoate chloride Openeye Name: quinuclidin-1-ium-3-yl (E)-3-phenylprop-2-enoate chloride CAS Name: (E)-3-phenyl-2-propenoic acid 1-azoniabicyclo[2.2.2]octan-3-yl ester chloride IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl (E)-3-phenylprop-2-enoate chloride Traditional Name: (E)-3-phenylacrylic acid quinuclidin-1-ium-3-yl ester chloride Formula: C16H20ClNO2 MolecularWeight: 293.7885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[NH+]2CCC1C(C2)OC(=O)/C=C/C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H19NO2.ClH/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;1H/b7-6+;