[(2S,3S)-3-methylpentan-2-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(2S,3S)-3-methylpentan-2-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S,2S)-1,2-dimethylbutyl]-(4-pyridylmethyl)ammonium CAS Name: [(2S,3S)-3-methylpentan-2-yl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(2S,3S)-3-methylpentan-2-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S,2S)-1,2-dimethylbutyl]-(4-pyridylmethyl)ammonium Formula: C12H21N2+ MolecularWeight: 193.30854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2/c1-4-10(2)11(3)14-9-12-5-7-13-8-6-12/h5-8,10-11,14H,4,9H2,1-3H3/p+1/t10-,11-/m0/s1