3-(3-bromanylpyridin-1-ium-1-yl)chromen-2-one chloride

Systemtic Name: 3-(3-bromanylpyridin-1-ium-1-yl)chromen-2-one chloride Openeye Name: 3-(3-bromopyridin-1-ium-1-yl)chromen-2-one chloride CAS Name: 3-(3-bromo-1-pyridin-1-iumyl)-1-benzopyran-2-one chloride IUPAC Name: 3-(3-bromopyridin-1-ium-1-yl)chromen-2-one chloride Traditional Name: 3-(3-bromopyridin-1-ium-1-yl)coumarin chloride Formula: C14H9BrClNO2 MolecularWeight: 338.58376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)[N+]3=CC=CC(=C3)Br.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)[N+]3=CC=CC(=C3)Br.[Cl-]

InChI

InChI=1S/C14H9BrNO2.ClH/c15-11-5-3-7-16(9-11)12-8-10-4-1-2-6-13(10)18-14(12)17;/h1-9H;1H/q+1;/p-1