3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC=CC(=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2/c1-2-15-8-3-4-9-17(15)12-14-7-5-6-13(10-14)11-16/h5-7,10,15H,2-4,8-9,12H2,1H3/p+1/t15-/m0/s1