1-azabicyclo[2.2.2]octan-3-yl (E)-5-iodanyl-2-phenyl-pent-4-enoate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl (E)-5-iodanyl-2-phenyl-pent-4-enoate Openeye Name: quinuclidin-3-yl (E)-5-iodo-2-phenyl-pent-4-enoate CAS Name: (E)-5-iodo-2-phenyl-4-pentenoic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl (E)-5-iodo-2-phenylpent-4-enoate Traditional Name: (E)-5-iodo-2-phenyl-pent-4-enoic acid quinuclidin-3-yl ester Formula: C18H22INO2 MolecularWeight: 411.27725

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)C(CC=CI)C3=CC=CC=C3

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)C(C/C=C/I)C3=CC=CC=C3

InChI

InChI=1S/C18H22INO2/c19-10-4-7-16(14-5-2-1-3-6-14)18(21)22-17-13-20-11-8-15(17)9-12-20/h1-6,10,15-17H,7-9,11-13H2/b10-4+