3-(2-bromanylphenoxy)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(2-bromanylphenoxy)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2-bromophenoxy)-7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(2-bromophenoxy)-7-hydroxy-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(2-bromophenoxy)-7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(2-bromophenoxy)-7-hydroxy-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C22H23BrNO4+ MolecularWeight: 445.32632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)O

InChI

InChI=1S/C22H22BrNO4/c1-14-5-4-10-24(11-14)12-16-18(25)9-8-15-21(26)20(13-27-22(15)16)28-19-7-3-2-6-17(19)23/h2-3,6-9,13-14,25H,4-5,10-12H2,1H3/p+1/t14-/m1/s1