(1-oxidanidylpyridin-1-ium-3-yl) 3-[3-(prop-2-enoylamino)propanoylamino]propanoate

Systemtic Name: (1-oxidanidylpyridin-1-ium-3-yl) 3-[3-(prop-2-enoylamino)propanoylamino]propanoate Openeye Name: (1-oxidopyridin-1-ium-3-yl) 3-[3-(prop-2-enoylamino)propanoylamino]propanoate CAS Name: 3-[[1-oxo-3-(1-oxoprop-2-enylamino)propyl]amino]propanoic acid (1-oxido-3-pyridin-1-iumyl) ester IUPAC Name: (1-oxidopyridin-1-ium-3-yl) 3-[3-(prop-2-enoylamino)propanoylamino]propanoate Traditional Name: 3-(3-acrylamidopropanoylamino)propionic acid (1-oxidopyridin-1-ium-3-yl) ester Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCC(=O)NCCC(=O)OC1=C[N+](=CC=C1)[O-]

Isomeric SMILES

C=CC(=O)NCCC(=O)NCCC(=O)OC1=C[N+](=CC=C1)[O-]

InChI

InChI=1S/C14H17N3O5/c1-2-12(18)15-7-5-13(19)16-8-6-14(20)22-11-4-3-9-17(21)10-11/h2-4,9-10H,1,5-8H2,(H,15,18)(H,16,19)