4-methyl-7-(3-pyridin-1-ium-1-ylpropoxy)chromen-2-one bromide

Systemtic Name: 4-methyl-7-(3-pyridin-1-ium-1-ylpropoxy)chromen-2-one bromide Openeye Name: 4-methyl-7-(3-pyridin-1-ium-1-ylpropoxy)chromen-2-one bromide CAS Name: 4-methyl-7-[3-(1-pyridin-1-iumyl)propoxy]-1-benzopyran-2-one bromide IUPAC Name: 4-methyl-7-(3-pyridin-1-ium-1-ylpropoxy)chromen-2-one bromide Traditional Name: 4-methyl-7-(3-pyridin-1-ium-1-ylpropoxy)coumarin bromide Formula: C18H18BrNO3 MolecularWeight: 376.24442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18NO3.BrH/c1-14-12-18(20)22-17-13-15(6-7-16(14)17)21-11-5-10-19-8-3-2-4-9-19;/h2-4,6-9,12-13H,5,10-11H2,1H3;1H/q+1;/p-1