3-(pyridin-4-ylmethylazaniumyl)propanoate

Systemtic Name: 3-(pyridin-4-ylmethylazaniumyl)propanoate Openeye Name: 3-(4-pyridylmethylammonio)propanoate CAS Name: 3-(pyridin-4-ylmethylammonio)propanoate IUPAC Name: 3-(pyridin-4-ylmethylazaniumyl)propanoate Traditional Name: 3-(4-pyridylmethylammonio)propionate Formula: C9H12N2O2 MolecularWeight: 180.20378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C[NH2+]CCC(=O)[O-]

Isomeric SMILES

C1=CN=CC=C1C[NH2+]CCC(=O)[O-]

InChI

InChI=1S/C9H12N2O2/c12-9(13)3-6-11-7-8-1-4-10-5-2-8/h1-2,4-5,11H,3,6-7H2,(H,12,13)