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

Systemtic Name: 3-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-18(2)7-3-6-17-13(11-16)12-4-5-14-15(10-12)20-9-8-19-14/h4-5,10,13,17H,3,6-9H2,1-2H3/p+1/t13-/m1/s1