(2R)-2-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C13H16N3O2+ MolecularWeight: 246.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15N3O2/c14-8-11(16-5-3-15-4-6-16)10-1-2-12-13(7-10)18-9-17-12/h1-2,7,11,15H,3-6,9H2/p+1/t11-/m0/s1