2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl propanoate chloride

Systemtic Name: 2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl propanoate chloride Openeye Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl propanoate chloride CAS Name: propanoic acid 2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]ethyl ester chloride IUPAC Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl propanoate chloride Traditional Name: propionic acid 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl ester chloride Formula: C12H17ClN2O3 MolecularWeight: 272.72798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C12H16N2O3.ClH/c1-2-12(16)17-9-6-13-11(15)10-14-7-4-3-5-8-14;/h3-5,7-8H,2,6,9-10H2,1H3;1H