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

Systemtic Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H17N3O2/c15-10-12(17-5-3-16-4-6-17)11-1-2-13-14(9-11)19-8-7-18-13/h1-2,9,12,16H,3-8H2/p+1/t12-/m0/s1