[3-(2-methoxy-2-oxidanylidene-ethyl)-4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl]methyl-(pyridin-4-ylmethyl)azanium chloride

Systemtic Name: [3-(2-methoxy-2-oxidanylidene-ethyl)-4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl]methyl-(pyridin-4-ylmethyl)azanium chloride Openeye Name: [7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4,8-dimethyl-2-oxo-chromen-6-yl]methyl-(4-pyridylmethyl)ammonium chloride CAS Name: [7-hydroxy-3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-1-benzopyran-6-yl]methyl-(pyridin-4-ylmethyl)ammonium chloride IUPAC Name: [7-hydroxy-3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxochromen-6-yl]methyl-(pyridin-4-ylmethyl)azanium chloride Traditional Name: [7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4,8-dimethyl-chromen-6-yl]methyl-(4-pyridylmethyl)ammonium chloride Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]CC3=CC=NC=C3)O)C)CC(=O)OC.[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]CC3=CC=NC=C3)O)C)CC(=O)OC.[Cl-]

InChI

InChI=1S/C21H22N2O5.ClH/c1-12-16-8-15(11-23-10-14-4-6-22-7-5-14)19(25)13(2)20(16)28-21(26)17(12)9-18(24)27-3;/h4-8,23,25H,9-11H2,1-3H3;1H