3-[[(S)-cyano(pyridin-3-yl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(S)-cyano(pyridin-3-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(S)-cyano(3-pyridyl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(S)-cyano(3-pyridinyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(S)-cyano(pyridin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(S)-cyano(3-pyridyl)methyl]amino]propyl-dimethyl-ammonium Formula: C12H19N4+ MolecularWeight: 219.30606

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(C#N)C1=CN=CC=C1

Isomeric SMILES

C[NH+](C)CCCN[C@H](C#N)C1=CN=CC=C1

InChI

InChI=1S/C12H18N4/c1-16(2)8-4-7-15-12(9-13)11-5-3-6-14-10-11/h3,5-6,10,12,15H,4,7-8H2,1-2H3/p+1/t12-/m1/s1