[(2S)-heptan-2-yl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(2S)-heptan-2-yl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1S)-1-methylhexyl]-(3-pyridylmethyl)ammonium CAS Name: [(2S)-heptan-2-yl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(2S)-heptan-2-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1S)-1-methylhexyl]-(3-pyridylmethyl)ammonium Formula: C13H23N2+ MolecularWeight: 207.33512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CC1=CN=CC=C1

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CC1=CN=CC=C1

InChI

InChI=1S/C13H22N2/c1-3-4-5-7-12(2)15-11-13-8-6-9-14-10-13/h6,8-10,12,15H,3-5,7,11H2,1-2H3/p+1/t12-/m0/s1