(2R)-1-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Formula: C16H17NO5 MolecularWeight: 303.30988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3C(=O)[O-])O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCC[C@@H]3C(=O)[O-])O

InChI

InChI=1S/C16H17NO5/c1-9-7-14(19)22-15-10(9)4-5-13(18)11(15)8-17-6-2-3-12(17)16(20)21/h4-5,7,12,18H,2-3,6,8H2,1H3,(H,20,21)/t12-/m1/s1