(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylacetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-acetonitrile Formula: C13H15N2O2+ MolecularWeight: 231.2704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC[NH+](C1)[C@H](C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N2O2/c14-8-11(15-5-1-2-6-15)10-3-4-12-13(7-10)17-9-16-12/h3-4,7,11H,1-2,5-6,9H2/p+1/t11-/m1/s1