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

Systemtic Name: 3-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(S)-1,3-benzodioxol-5-yl(cyano)methyl]amino]propyl-dimethyl-ammonium Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2/c1-17(2)7-3-6-16-12(9-15)11-4-5-13-14(8-11)19-10-18-13/h4-5,8,12,16H,3,6-7,10H2,1-2H3/p+1/t12-/m1/s1