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4-(pyridin-1-ium-2-ylamino)butanoate

4-(pyridin-1-ium-2-ylamino)butanoate

Systemtic Name:4-(pyridin-1-ium-2-ylamino)butanoate
Openeye Name:4-(pyridin-1-ium-2-ylamino)butanoate
CAS Name:4-(2-pyridin-1-iumylamino)butanoate
IUPAC Name:4-(pyridin-1-ium-2-ylamino)butanoate
Traditional Name:4-(pyridin-1-ium-2-ylamino)butyrate
Formula: C9H12N2O2
MolecularWeight: 180.20378
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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