(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-oxidanylpiperidin-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-oxidanylpiperidin-1-yl)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-1-piperidyl)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-1-piperidinyl)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-hydroxypiperidin-1-yl)acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-hydroxypiperidino)acetonitrile Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCC1O)[C@H](C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H16N2O3/c15-8-12(16-5-3-11(17)4-6-16)10-1-2-13-14(7-10)19-9-18-13/h1-2,7,11-12,17H,3-6,9H2/t12-/m1/s1