2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]benzonitrile Formula: C15H21N2+ MolecularWeight: 229.34064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC=CC=C2C#N)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=CC=CC=C2C#N)C

InChI

InChI=1S/C15H20N2/c1-12-7-13(2)10-17(9-12)11-15-6-4-3-5-14(15)8-16/h3-6,12-13H,7,9-11H2,1-2H3/p+1/t12-,13-/m0/s1