(2R)-4-methyl-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]pentanoate

Systemtic Name: (2R)-4-methyl-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]pentanoate Openeye Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylammonio]-4-methyl-pentanoate CAS Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylazaniumyl]-4-methylpentanoate Traditional Name: (2R)-2-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylammonio]-4-methyl-valerate Formula: C17H21NO5 MolecularWeight: 319.35234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/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)/t13-/m1/s1