(2R)-1-[(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-1-benzopyran-8-yl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[(7-hydroxy-2-methyl-4-oxo-3-phenoxychromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(7-hydroxy-4-keto-2-methyl-3-phenoxy-chromen-8-yl)methyl]pyrrolidin-1-ium-2-carboxylate Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3C(=O)[O-])OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCC[C@@H]3C(=O)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C22H21NO6/c1-13-20(29-14-6-3-2-4-7-14)19(25)15-9-10-18(24)16(21(15)28-13)12-23-11-5-8-17(23)22(26)27/h2-4,6-7,9-10,17,24H,5,8,11-12H2,1H3,(H,26,27)/t17-/m1/s1