methyl 4-[2-(2-methylpyridin-1-ium-1-yl)ethanoylamino]benzoate chloride

Systemtic Name: methyl 4-[2-(2-methylpyridin-1-ium-1-yl)ethanoylamino]benzoate chloride Openeye Name: methyl 4-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]benzoate chloride CAS Name: 4-[[2-(2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester chloride IUPAC Name: methyl 4-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]benzoate chloride Traditional Name: 4-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester chloride Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)NC2=CC=C(C=C2)C(=O)OC.[Cl-]

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)NC2=CC=C(C=C2)C(=O)OC.[Cl-]

InChI

InChI=1S/C16H16N2O3.ClH/c1-12-5-3-4-10-18(12)11-15(19)17-14-8-6-13(7-9-14)16(20)21-2;/h3-10H,11H2,1-2H3;1H