6-methoxy-3-[2-(3-methylpyridin-1-ium-1-yl)ethanoyl]chromen-2-one bromide

Systemtic Name: 6-methoxy-3-[2-(3-methylpyridin-1-ium-1-yl)ethanoyl]chromen-2-one bromide Openeye Name: 6-methoxy-3-[2-(3-methylpyridin-1-ium-1-yl)acetyl]chromen-2-one bromide CAS Name: 6-methoxy-3-[2-(3-methyl-1-pyridin-1-iumyl)-1-oxoethyl]-1-benzopyran-2-one bromide IUPAC Name: 6-methoxy-3-[2-(3-methylpyridin-1-ium-1-yl)acetyl]chromen-2-one bromide Traditional Name: 6-methoxy-3-[2-(3-methylpyridin-1-ium-1-yl)acetyl]coumarin bromide Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O.[Br-]

Isomeric SMILES

CC1=C[N+](=CC=C1)CC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O.[Br-]

InChI

InChI=1S/C18H16NO4.BrH/c1-12-4-3-7-19(10-12)11-16(20)15-9-13-8-14(22-2)5-6-17(13)23-18(15)21;/h3-10H,11H2,1-2H3;1H/q+1;/p-1