3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoyl]-6-methoxy-chromen-2-one bromide

Systemtic Name: 3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoyl]-6-methoxy-chromen-2-one bromide Openeye Name: 3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-6-methoxy-chromen-2-one bromide CAS Name: 3-[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]-6-methoxy-1-benzopyran-2-one bromide IUPAC Name: 3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-6-methoxychromen-2-one bromide Traditional Name: 3-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-6-methoxy-coumarin bromide Formula: C19H19BrN2O4 MolecularWeight: 419.26916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N2O4.BrH/c1-20(2)14-6-8-21(9-7-14)12-17(22)16-11-13-10-15(24-3)4-5-18(13)25-19(16)23;/h4-11H,12H2,1-3H3;1H/q+1;/p-1