methyl 4-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]benzoate bromide

Systemtic Name: methyl 4-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]benzoate bromide Openeye Name: methyl 4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]benzoate bromide CAS Name: 4-[2-(2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]benzoic acid methyl ester bromide IUPAC Name: methyl 4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]benzoate bromide Traditional Name: 4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]benzoic acid methyl ester bromide Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO3.BrH/c1-12-5-3-4-10-17(12)11-15(18)13-6-8-14(9-7-13)16(19)20-2;/h3-10H,11H2,1-2H3;1H/q+1;/p-1