[(3S,5S)-5-methylheptan-3-yl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3S,5S)-5-methylheptan-3-yl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-(3-pyridylmethyl)ammonium CAS Name: [(3S,5S)-5-methylheptan-3-yl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3S,5S)-5-methylheptan-3-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-(3-pyridylmethyl)ammonium Formula: C14H25N2+ MolecularWeight: 221.3617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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