methyl 1-[[2,6-bis(chloranyl)phenyl]methyl]pyridin-1-ium-3-carboxylate bromide

Systemtic Name: methyl 1-[[2,6-bis(chloranyl)phenyl]methyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[(2,6-dichlorophenyl)methyl]-3-pyridin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-(2,6-dichlorobenzyl)pyridin-1-ium-3-carboxylic acid methyl ester bromide Formula: C14H12BrCl2NO2 MolecularWeight: 377.06058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CC2=C(C=CC=C2Cl)Cl.[Br-]

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CC2=C(C=CC=C2Cl)Cl.[Br-]

InChI

InChI=1S/C14H12Cl2NO2.BrH/c1-19-14(18)10-4-3-7-17(8-10)9-11-12(15)5-2-6-13(11)16;/h2-8H,9H2,1H3;1H/q+1;/p-1