[6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-propyl-azanium chloride

Systemtic Name: [6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-propyl-azanium chloride Openeye Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl-propyl-ammonium chloride CAS Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-propylammonium chloride IUPAC Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl-propylazanium chloride Traditional Name: [6-chloro-7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl-propyl-ammonium chloride Formula: C17H21Cl2NO5 MolecularWeight: 390.25834

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=C2C(=CC(=C1O)Cl)C(=C(C(=O)O2)CC(=O)OC)C.[Cl-]

Isomeric SMILES

CCC[NH2+]CC1=C2C(=CC(=C1O)Cl)C(=C(C(=O)O2)CC(=O)OC)C.[Cl-]

InChI

InChI=1S/C17H20ClNO5.ClH/c1-4-5-19-8-12-15(21)13(18)6-10-9(2)11(7-14(20)23-3)17(22)24-16(10)12;/h6,19,21H,4-5,7-8H2,1-3H3;1H