3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]benzonitrile Formula: C15H21N2+ MolecularWeight: 229.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=CC=CC(=C2)C#N)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1CC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C15H20N2/c1-12-5-3-6-13(2)17(12)11-15-8-4-7-14(9-15)10-16/h4,7-9,12-13H,3,5-6,11H2,1-2H3/p+1/t12-,13-/m0/s1