(4-chlorophenyl)methyl 2-pyridin-1-ium-1-ylethanoate bromide

Systemtic Name: (4-chlorophenyl)methyl 2-pyridin-1-ium-1-ylethanoate bromide Openeye Name: (4-chlorophenyl)methyl 2-pyridin-1-ium-1-ylacetate bromide CAS Name: 2-(1-pyridin-1-iumyl)acetic acid (4-chlorophenyl)methyl ester bromide IUPAC Name: (4-chlorophenyl)methyl 2-pyridin-1-ium-1-ylacetate bromide Traditional Name: 2-pyridin-1-ium-1-ylacetic acid (4-chlorobenzyl) ester bromide Formula: C14H13BrClNO2 MolecularWeight: 342.61552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)OCC2=CC=C(C=C2)Cl.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)OCC2=CC=C(C=C2)Cl.[Br-]

InChI

InChI=1S/C14H13ClNO2.BrH/c15-13-6-4-12(5-7-13)11-18-14(17)10-16-8-2-1-3-9-16;/h1-9H,10-11H2;1H/q+1;/p-1