7-methoxy-4-methyl-8-(2-pyridin-1-ium-1-ylethanoyl)chromen-2-one bromide

Systemtic Name: 7-methoxy-4-methyl-8-(2-pyridin-1-ium-1-ylethanoyl)chromen-2-one bromide Openeye Name: 7-methoxy-4-methyl-8-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one bromide CAS Name: 7-methoxy-4-methyl-8-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-1-benzopyran-2-one bromide IUPAC Name: 7-methoxy-4-methyl-8-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one bromide Traditional Name: 7-methoxy-4-methyl-8-(2-pyridin-1-ium-1-ylacetyl)coumarin bromide Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C[N+]3=CC=CC=C3)OC.[Br-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C[N+]3=CC=CC=C3)OC.[Br-]

InChI

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