4-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]benzonitrile Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C#N)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C13H16N2O/c14-8-11-3-5-12(6-4-11)9-15-7-1-2-13(16)10-15/h3-6,13,16H,1-2,7,9-10H2/p+1/t13-/m0/s1