4-[[(1R,4R)-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(1R,4R)-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[(1R,4R)-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile CAS Name: 4-[[(1R,4R)-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile IUPAC Name: 4-[[(1R,4R)-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile Traditional Name: 4-[[(1R,4R)-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]methyl]benzonitrile Formula: C13H16N3+ MolecularWeight: 214.28624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C[NH2+]C1CN2CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1[C@@H]2C[NH2+][C@H]1CN2CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C13H15N3/c14-6-10-1-3-11(4-2-10)8-16-9-12-5-13(16)7-15-12/h1-4,12-13,15H,5,7-9H2/p+1/t12-,13-/m1/s1