4-[(5-methylpyridin-1-ium-2-yl)amino]butanoate

Systemtic Name: 4-[(5-methylpyridin-1-ium-2-yl)amino]butanoate Openeye Name: 4-[(5-methylpyridin-1-ium-2-yl)amino]butanoate CAS Name: 4-[(5-methyl-2-pyridin-1-iumyl)amino]butanoate IUPAC Name: 4-[(5-methylpyridin-1-ium-2-yl)amino]butanoate Traditional Name: 4-[(5-methylpyridin-1-ium-2-yl)amino]butyrate Formula: C10H14N2O2 MolecularWeight: 194.23036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O2/c1-8-4-5-9(12-7-8)11-6-2-3-10(13)14/h4-5,7H,2-3,6H2,1H3,(H,11,12)(H,13,14)