[(S)-1,3-benzodioxol-5-yl(cyano)methyl]-diethyl-azanium

Systemtic Name: [(S)-1,3-benzodioxol-5-yl(cyano)methyl]-diethyl-azanium Openeye Name: [(S)-1,3-benzodioxol-5-yl(cyano)methyl]-diethyl-ammonium CAS Name: [(S)-1,3-benzodioxol-5-yl(cyano)methyl]-diethylammonium IUPAC Name: [(S)-1,3-benzodioxol-5-yl(cyano)methyl]-diethylazanium Traditional Name: [(S)-1,3-benzodioxol-5-yl(cyano)methyl]-diethyl-ammonium Formula: C13H17N2O2+ MolecularWeight: 233.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C#N)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC[NH+](CC)[C@H](C#N)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H16N2O2/c1-3-15(4-2)11(8-14)10-5-6-12-13(7-10)17-9-16-12/h5-7,11H,3-4,9H2,1-2H3/p+1/t11-/m1/s1