3-[(5-methylpyridin-1-ium-2-yl)amino]propanoate

Systemtic Name: 3-[(5-methylpyridin-1-ium-2-yl)amino]propanoate Openeye Name: 3-[(5-methylpyridin-1-ium-2-yl)amino]propanoate CAS Name: 3-[(5-methyl-2-pyridin-1-iumyl)amino]propanoate IUPAC Name: 3-[(5-methylpyridin-1-ium-2-yl)amino]propanoate Traditional Name: 3-[(5-methylpyridin-1-ium-2-yl)amino]propionate Formula: C9H12N2O2 MolecularWeight: 180.20378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O2/c1-7-2-3-8(11-6-7)10-5-4-9(12)13/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)