4-methyl-7-(2-pyridin-1-ium-1-ylethoxy)chromen-2-one bromide

Systemtic Name: 4-methyl-7-(2-pyridin-1-ium-1-ylethoxy)chromen-2-one bromide Openeye Name: 4-methyl-7-(2-pyridin-1-ium-1-ylethoxy)chromen-2-one bromide CAS Name: 4-methyl-7-[2-(1-pyridin-1-iumyl)ethoxy]-1-benzopyran-2-one bromide IUPAC Name: 4-methyl-7-(2-pyridin-1-ium-1-ylethoxy)chromen-2-one bromide Traditional Name: 4-methyl-7-(2-pyridin-1-ium-1-ylethoxy)coumarin bromide Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H16NO3.BrH/c1-13-11-17(19)21-16-12-14(5-6-15(13)16)20-10-9-18-7-3-2-4-8-18;/h2-8,11-12H,9-10H2,1H3;1H/q+1;/p-1