3-phenyl-1-azoniabicyclo[2.2.2]octane

Systemtic Name: 3-phenyl-1-azoniabicyclo[2.2.2]octane Openeye Name: 3-phenylquinuclidin-1-ium CAS Name: 3-phenyl-1-azoniabicyclo[2.2.2]octane IUPAC Name: 3-phenyl-1-azoniabicyclo[2.2.2]octane Traditional Name: 3-phenylquinuclidin-1-ium Formula: C13H18N+ MolecularWeight: 188.28872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N/c1-2-4-11(5-3-1)13-10-14-8-6-12(13)7-9-14/h1-5,12-13H,6-10H2/p+1