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

Systemtic Name: (2R)-1-[[3-(2-bromanylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[[3-(2-bromophenoxy)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[3-(2-bromophenoxy)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[[3-(2-bromophenoxy)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[3-(2-bromophenoxy)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl]pyrrolidin-1-ium-2-carboxylate Formula: C22H20BrNO6 MolecularWeight: 474.3013

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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=C4Br

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=C4Br

InChI

InChI=1S/C22H20BrNO6/c1-12-20(30-18-7-3-2-5-15(18)23)19(26)13-8-9-17(25)14(21(13)29-12)11-24-10-4-6-16(24)22(27)28/h2-3,5,7-9,16,25H,4,6,10-11H2,1H3,(H,27,28)/t16-/m1/s1