4-(pyridin-1-ium-4-ylamino)butanoate

Systemtic Name: 4-(pyridin-1-ium-4-ylamino)butanoate Openeye Name: 4-(pyridin-1-ium-4-ylamino)butanoate CAS Name: 4-(4-pyridin-1-iumylamino)butanoate IUPAC Name: 4-(pyridin-1-ium-4-ylamino)butanoate Traditional Name: 4-(pyridin-1-ium-4-ylamino)butyrate Formula: C9H12N2O2 MolecularWeight: 180.20378

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1NCCCC(=O)[O-]

Isomeric SMILES

C1=C[NH+]=CC=C1NCCCC(=O)[O-]

InChI

InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13)