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

Systemtic Name: [6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-cyclohexyl-azanium chloride Openeye Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl-cyclohexyl-ammonium chloride CAS Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-cyclohexylammonium chloride IUPAC Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl-cyclohexylazanium chloride Traditional Name: [6-chloro-7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl-cyclohexyl-ammonium chloride Formula: C20H25Cl2NO5 MolecularWeight: 430.3222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C3CCCCC3)CC(=O)OC.[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C3CCCCC3)CC(=O)OC.[Cl-]

InChI

InChI=1S/C20H24ClNO5.ClH/c1-11-13-8-16(21)18(24)15(10-22-12-6-4-3-5-7-12)19(13)27-20(25)14(11)9-17(23)26-2;/h8,12,22,24H,3-7,9-10H2,1-2H3;1H