(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-yl-acetonitrile CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-piperidin-1-iumyl)acetonitrile IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-ylacetonitrile Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ium-1-yl-acetonitrile Formula: C15H19N2O2+ MolecularWeight: 259.32356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H18N2O2/c16-11-13(17-6-2-1-3-7-17)12-4-5-14-15(10-12)19-9-8-18-14/h4-5,10,13H,1-3,6-9H2/p+1/t13-/m0/s1