4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[(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=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2/c1-2-15-5-3-4-10-17(15)12-14-8-6-13(11-16)7-9-14/h6-9,15H,2-5,10,12H2,1H3/p+1/t15-/m0/s1