2-carboxyethyl-cyclohexyl-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]azanium chloride

Systemtic Name: 2-carboxyethyl-cyclohexyl-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]azanium chloride Openeye Name: 2-carboxyethyl-cyclohexyl-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl]ammonium chloride CAS Name: 2-carboxyethyl-cyclohexyl-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl]ammonium chloride IUPAC Name: 2-carboxyethyl-cyclohexyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]azanium chloride Traditional Name: 2-carboxyethyl-cyclohexyl-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl]ammonium chloride Formula: C20H26ClNO5 MolecularWeight: 395.87714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+](CCC(=O)O)C3CCCCC3)O.[Cl-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+](CCC(=O)O)C3CCCCC3)O.[Cl-]

InChI

InChI=1S/C20H25NO5.ClH/c1-13-11-19(25)26-20-15(13)7-8-17(22)16(20)12-21(10-9-18(23)24)14-5-3-2-4-6-14;/h7-8,11,14,22H,2-6,9-10,12H2,1H3,(H,23,24);1H