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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(2-dimethylaminoethylamino)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(2-dimethylaminoethylamino)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(2-dimethylaminoethylamino)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(2-dimethylaminoethylamino)acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(2-dimethylaminoethylamino)acetonitrile Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(C)CCN[C@H](C#N)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17N3O2/c1-16(2)6-5-15-11(8-14)10-3-4-12-13(7-10)18-9-17-12/h3-4,7,11,15H,5-6,9H2,1-2H3/t11-/m1/s1