(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-[(2R)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium chloride

Systemtic Name: (4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-[(2R)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium chloride Openeye Name: [(1R)-1-carboxy-3-methyl-butyl]-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl]ammonium chloride CAS Name: (7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl-[(2R)-1-hydroxy-4-methyl-1-oxopentan-2-yl]ammonium chloride IUPAC Name: (7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-[(2R)-1-hydroxy-4-methyl-1-oxopentan-2-yl]azanium chloride Traditional Name: [(1R)-1-carboxy-3-methyl-butyl]-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl]ammonium chloride Formula: C17H22ClNO5 MolecularWeight: 355.81328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC(C)C)C(=O)O)O.[Cl-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@H](CC(C)C)C(=O)O)O.[Cl-]

InChI

InChI=1S/C17H21NO5.ClH/c1-9(2)6-13(17(21)22)18-8-12-14(19)5-4-11-10(3)7-15(20)23-16(11)12;/h4-5,7,9,13,18-19H,6,8H2,1-3H3,(H,21,22);1H/t13-;/m1./s1