4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzenecarbonitrile

Systemtic Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzenecarbonitrile Openeye Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzonitrile CAS Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzonitrile IUPAC Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzonitrile Traditional Name: 4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)benzonitrile Formula: C14H18N3+ MolecularWeight: 228.31282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C14H18N3/c15-11-13-1-3-14(4-2-13)12-17-8-5-16(6-9-17)7-10-17/h1-4H,5-10,12H2/q+1