(2S,3R)-3-oxidanyl-3-phenyl-2-piperidin-1-ium-1-yl-propanenitrile

Systemtic Name: (2S,3R)-3-oxidanyl-3-phenyl-2-piperidin-1-ium-1-yl-propanenitrile Openeye Name: (2S,3R)-3-hydroxy-3-phenyl-2-piperidin-1-ium-1-yl-propanenitrile CAS Name: (2S,3R)-3-hydroxy-3-phenyl-2-(1-piperidin-1-iumyl)propanenitrile IUPAC Name: (2S,3R)-3-hydroxy-3-phenyl-2-piperidin-1-ium-1-ylpropanenitrile Traditional Name: (2S,3R)-3-hydroxy-3-phenyl-2-piperidin-1-ium-1-yl-propionitrile Formula: C14H19N2O+ MolecularWeight: 231.31346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C#N)C(C2=CC=CC=C2)O

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C#N)[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C14H18N2O/c15-11-13(16-9-5-2-6-10-16)14(17)12-7-3-1-4-8-12/h1,3-4,7-8,13-14,17H,2,5-6,9-10H2/p+1/t13-,14+/m0/s1