2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(C#N)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

C[NH+](C)CCN[C@H](C#N)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C14H19N3O2/c1-17(2)6-5-16-12(10-15)11-3-4-13-14(9-11)19-8-7-18-13/h3-4,9,12,16H,5-8H2,1-2H3/p+1/t12-/m1/s1