4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]benzenecarbonitrile Openeye Name: 4-[[(3R)-quinuclidin-1-ium-3-yl]amino]benzonitrile CAS Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]benzonitrile IUPAC Name: 4-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]benzonitrile Traditional Name: 4-[[(3R)-quinuclidin-1-ium-3-yl]amino]benzonitrile Formula: C14H18N3+ MolecularWeight: 228.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C14H17N3/c15-9-11-1-3-13(4-2-11)16-14-10-17-7-5-12(14)6-8-17/h1-4,12,14,16H,5-8,10H2/p+1/t14-/m0/s1