(4-bromophenyl) 2-pyridin-1-ium-1-ylethanoate chloride

Systemtic Name: (4-bromophenyl) 2-pyridin-1-ium-1-ylethanoate chloride Openeye Name: (4-bromophenyl) 2-pyridin-1-ium-1-ylacetate chloride CAS Name: 2-(1-pyridin-1-iumyl)acetic acid (4-bromophenyl) ester chloride IUPAC Name: (4-bromophenyl) 2-pyridin-1-ium-1-ylacetate chloride Traditional Name: 2-pyridin-1-ium-1-ylacetic acid (4-bromophenyl) ester chloride Formula: C13H11BrClNO2 MolecularWeight: 328.58894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)OC2=CC=C(C=C2)Br.[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)OC2=CC=C(C=C2)Br.[Cl-]

InChI

InChI=1S/C13H11BrNO2.ClH/c14-11-4-6-12(7-5-11)17-13(16)10-15-8-2-1-3-9-15;/h1-9H,10H2;1H/q+1;/p-1