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

Systemtic Name: (2R)-4-methyl-2-[(7-oxidanyl-2-oxidanylidene-4-propyl-chromen-8-yl)methylazaniumyl]pentanoate Openeye Name: (2R)-2-[(7-hydroxy-2-oxo-4-propyl-chromen-8-yl)methylammonio]-4-methyl-pentanoate CAS Name: (2R)-2-[(7-hydroxy-2-oxo-4-propyl-1-benzopyran-8-yl)methylammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylazaniumyl]-4-methylpentanoate Traditional Name: (2R)-2-[(7-hydroxy-2-keto-4-propyl-chromen-8-yl)methylammonio]-4-methyl-valerate Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC(C)C)C(=O)[O-])O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@H](CC(C)C)C(=O)[O-])O

InChI

InChI=1S/C19H25NO5/c1-4-5-12-9-17(22)25-18-13(12)6-7-16(21)14(18)10-20-15(19(23)24)8-11(2)3/h6-7,9,11,15,20-21H,4-5,8,10H2,1-3H3,(H,23,24)/t15-/m1/s1