7-(diethylamino)-3-(1-methylpyridin-1-ium-4-yl)chromen-2-one; methyl sulfate

Systemtic Name: 7-(diethylamino)-3-(1-methylpyridin-1-ium-4-yl)chromen-2-one; methyl sulfate Openeye Name: 7-(diethylamino)-3-(1-methylpyridin-1-ium-4-yl)chromen-2-one; methyl sulfate CAS Name: 7-(diethylamino)-3-(1-methyl-4-pyridin-1-iumyl)-1-benzopyran-2-one; methyl sulfate IUPAC Name: 7-(diethylamino)-3-(1-methylpyridin-1-ium-4-yl)chromen-2-one; methyl sulfate Traditional Name: 7-(diethylamino)-3-(1-methylpyridin-1-ium-4-yl)coumarin; methyl sulfate Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=[N+](C=C3)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=[N+](C=C3)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H21N2O2.CH4O4S/c1-4-21(5-2)16-7-6-15-12-17(19(22)23-18(15)13-16)14-8-10-20(3)11-9-14;1-5-6(2,3)4/h6-13H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1