methyl 3-(3-chlorophenyl)-2-pyridin-1-ium-1-yl-propanoate bromide

Systemtic Name: methyl 3-(3-chlorophenyl)-2-pyridin-1-ium-1-yl-propanoate bromide Openeye Name: methyl 3-(3-chlorophenyl)-2-pyridin-1-ium-1-yl-propanoate bromide CAS Name: 3-(3-chlorophenyl)-2-(1-pyridin-1-iumyl)propanoic acid methyl ester bromide IUPAC Name: methyl 3-(3-chlorophenyl)-2-pyridin-1-ium-1-ylpropanoate bromide Traditional Name: 3-(3-chlorophenyl)-2-pyridin-1-ium-1-yl-propionic acid methyl ester bromide Formula: C15H15BrClNO2 MolecularWeight: 356.6421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=CC=C1)Cl)[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

COC(=O)C(CC1=CC(=CC=C1)Cl)[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H15ClNO2.BrH/c1-19-15(18)14(17-8-3-2-4-9-17)11-12-6-5-7-13(16)10-12;/h2-10,14H,11H2,1H3;1H/q+1;/p-1