(3E)-3-(phenylmethylidene)-1-azoniabicyclo[2.2.2]octane

Systemtic Name: (3E)-3-(phenylmethylidene)-1-azoniabicyclo[2.2.2]octane Openeye Name: (3E)-3-benzylidenequinuclidin-1-ium CAS Name: (3E)-3-(phenylmethylene)-1-azoniabicyclo[2.2.2]octane IUPAC Name: (3E)-3-benzylidene-1-azoniabicyclo[2.2.2]octane Traditional Name: (3E)-3-benzalquinuclidin-1-ium Formula: C14H18N+ MolecularWeight: 200.29942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[NH+]2CCC1/C(=C\C3=CC=CC=C3)/C2

InChI

InChI=1S/C14H17N/c1-2-4-12(5-3-1)10-14-11-15-8-6-13(14)7-9-15/h1-5,10,13H,6-9,11H2/p+1/b14-10-