methyl 4-(2-pyridin-1-ium-1-ylethanoylamino)benzoate chloride

Systemtic Name: methyl 4-(2-pyridin-1-ium-1-ylethanoylamino)benzoate chloride Openeye Name: methyl 4-[(2-pyridin-1-ium-1-ylacetyl)amino]benzoate chloride CAS Name: 4-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]benzoic acid methyl ester chloride IUPAC Name: methyl 4-[(2-pyridin-1-ium-1-ylacetyl)amino]benzoate chloride Traditional Name: 4-[(2-pyridin-1-ium-1-ylacetyl)amino]benzoic acid methyl ester chloride Formula: C15H15ClN2O3 MolecularWeight: 306.7442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC=C2.[Cl-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C15H14N2O3.ClH/c1-20-15(19)12-5-7-13(8-6-12)16-14(18)11-17-9-3-2-4-10-17;/h2-10H,11H2,1H3;1H