[(2R,3S)-3-ethyl-1-pyridin-2-yl-heptan-2-yl]azanium

Systemtic Name: [(2R,3S)-3-ethyl-1-pyridin-2-yl-heptan-2-yl]azanium Openeye Name: [(1R,2S)-2-ethyl-1-(2-pyridylmethyl)hexyl]ammonium CAS Name: [(2R,3S)-3-ethyl-1-(2-pyridinyl)heptan-2-yl]ammonium IUPAC Name: [(2R,3S)-3-ethyl-1-pyridin-2-ylheptan-2-yl]azanium Traditional Name: [(1R,2S)-2-ethyl-1-(2-pyridylmethyl)hexyl]ammonium Formula: C14H25N2+ MolecularWeight: 221.3617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(CC1=CC=CC=N1)[NH3+]

Isomeric SMILES

CCCC[C@H](CC)[C@@H](CC1=CC=CC=N1)[NH3+]

InChI

InChI=1S/C14H24N2/c1-3-5-8-12(4-2)14(15)11-13-9-6-7-10-16-13/h6-7,9-10,12,14H,3-5,8,11,15H2,1-2H3/p+1/t12-,14+/m0/s1