2-[(3R,4S,5R)-3-phenyl-1-azoniabicyclo[2.2.2]octan-5-yl]ethanenitrile

Systemtic Name: 2-[(3R,4S,5R)-3-phenyl-1-azoniabicyclo[2.2.2]octan-5-yl]ethanenitrile Openeye Name: 2-[(3R,4S,5R)-5-phenylquinuclidin-1-ium-3-yl]acetonitrile CAS Name: 2-[(3R,4S,5R)-3-phenyl-1-azoniabicyclo[2.2.2]octan-5-yl]acetonitrile IUPAC Name: 2-[(3R,4S,5R)-3-phenyl-1-azoniabicyclo[2.2.2]octan-5-yl]acetonitrile Traditional Name: 2-[(3R,4S,5R)-5-phenylquinuclidin-1-ium-3-yl]acetonitrile Formula: C15H19N2+ MolecularWeight: 227.32476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[NH+]2C[C@@H]([C@H]1[C@@H](C2)C3=CC=CC=C3)CC#N

InChI

InChI=1S/C15H18N2/c16-8-6-13-10-17-9-7-14(13)15(11-17)12-4-2-1-3-5-12/h1-5,13-15H,6-7,9-11H2/p+1/t13-,14-,15-/m0/s1