(2R)-2-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C14H17N2O2+ MolecularWeight: 245.29698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H16N2O2/c15-9-12(16-6-2-1-3-7-16)11-4-5-13-14(8-11)18-10-17-13/h4-5,8,12H,1-3,6-7,10H2/p+1/t12-/m0/s1