3-[[(S)-cyano(pyridin-4-yl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(S)-cyano(pyridin-4-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(S)-cyano(4-pyridyl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(S)-cyano(pyridin-4-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(S)-cyano(pyridin-4-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(S)-cyano(4-pyridyl)methyl]amino]propyl-dimethyl-ammonium Formula: C12H19N4+ MolecularWeight: 219.30606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4/c1-16(2)9-3-6-15-12(10-13)11-4-7-14-8-5-11/h4-5,7-8,12,15H,3,6,9H2,1-2H3/p+1/t12-/m1/s1