3-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethanoyl]chromen-2-one bromide

Systemtic Name: 3-[2-(3,5-dimethylpyridin-1-ium-1-yl)ethanoyl]chromen-2-one bromide Openeye Name: 3-[2-(3,5-dimethylpyridin-1-ium-1-yl)acetyl]chromen-2-one bromide CAS Name: 3-[2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]-1-benzopyran-2-one bromide IUPAC Name: 3-[2-(3,5-dimethylpyridin-1-ium-1-yl)acetyl]chromen-2-one bromide Traditional Name: 3-[2-(3,5-dimethylpyridin-1-ium-1-yl)acetyl]coumarin bromide Formula: C18H16BrNO3 MolecularWeight: 374.22854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)CC(=O)C2=CC3=CC=CC=C3OC2=O)C.[Br-]

Isomeric SMILES

CC1=CC(=C[N+](=C1)CC(=O)C2=CC3=CC=CC=C3OC2=O)C.[Br-]

InChI

InChI=1S/C18H16NO3.BrH/c1-12-7-13(2)10-19(9-12)11-16(20)15-8-14-5-3-4-6-17(14)22-18(15)21;/h3-10H,11H2,1-2H3;1H/q+1;/p-1