2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-ethanenitrile chloride

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-ethanenitrile chloride Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-morpholino-acetonitrile chloride CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(4-morpholinyl)acetonitrile chloride IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetonitrile chloride Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-morpholino-acetonitrile chloride Formula: C13H14ClN2O3- MolecularWeight: 281.71486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(C#N)C2=CC3=C(C=C2)OCO3.[Cl-]

Isomeric SMILES

C1COCCN1C(C#N)C2=CC3=C(C=C2)OCO3.[Cl-]

InChI

InChI=1S/C13H14N2O3.ClH/c14-8-11(15-3-5-16-6-4-15)10-1-2-12-13(7-10)18-9-17-12;/h1-2,7,11H,3-6,9H2;1H/p-1