2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]ethyl-dimethyl-ammonium Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](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/p+1/t11-/m1/s1