6-[(5-methylpyridin-1-ium-2-yl)amino]hexanoate

Systemtic Name: 6-[(5-methylpyridin-1-ium-2-yl)amino]hexanoate Openeye Name: 6-[(5-methylpyridin-1-ium-2-yl)amino]hexanoate CAS Name: 6-[(5-methyl-2-pyridin-1-iumyl)amino]hexanoate IUPAC Name: 6-[(5-methylpyridin-1-ium-2-yl)amino]hexanoate Traditional Name: 6-[(5-methylpyridin-1-ium-2-yl)amino]hexanoate Formula: C12H18N2O2 MolecularWeight: 222.28352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NCCCCCC(=O)[O-]

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NCCCCCC(=O)[O-]

InChI

InChI=1S/C12H18N2O2/c1-10-6-7-11(14-9-10)13-8-4-2-3-5-12(15)16/h6-7,9H,2-5,8H2,1H3,(H,13,14)(H,15,16)