5-[methyl(2-pyridin-2-ylethyl)azaniumyl]pentanoate

Systemtic Name: 5-[methyl(2-pyridin-2-ylethyl)azaniumyl]pentanoate Openeye Name: 5-[methyl-[2-(2-pyridyl)ethyl]ammonio]pentanoate CAS Name: 5-[methyl-[2-(2-pyridinyl)ethyl]ammonio]pentanoate IUPAC Name: 5-[methyl(2-pyridin-2-ylethyl)azaniumyl]pentanoate Traditional Name: 5-[methyl-[2-(2-pyridyl)ethyl]ammonio]valerate Formula: C13H20N2O2 MolecularWeight: 236.3101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCC(=O)[O-])CCC1=CC=CC=N1

Isomeric SMILES

C[NH+](CCCCC(=O)[O-])CCC1=CC=CC=N1

InChI

InChI=1S/C13H20N2O2/c1-15(10-5-3-7-13(16)17)11-8-12-6-2-4-9-14-12/h2,4,6,9H,3,5,7-8,10-11H2,1H3,(H,16,17)