methyl 3-(pyridin-1-ium-2-ylamino)propanoate

Systemtic Name: methyl 3-(pyridin-1-ium-2-ylamino)propanoate Openeye Name: methyl 3-(pyridin-1-ium-2-ylamino)propanoate CAS Name: 3-(2-pyridin-1-iumylamino)propanoic acid methyl ester IUPAC Name: methyl 3-(pyridin-1-ium-2-ylamino)propanoate Traditional Name: 3-(pyridin-1-ium-2-ylamino)propionic acid methyl ester Formula: C9H13N2O2+ MolecularWeight: 181.21172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1=CC=CC=[NH+]1

Isomeric SMILES

COC(=O)CCNC1=CC=CC=[NH+]1

InChI

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