3-(2-bromanylphenoxy)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(2-bromanylphenoxy)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(2-bromophenoxy)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(2-bromophenoxy)-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(2-bromophenoxy)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(2-bromophenoxy)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C21H21BrNO4+ MolecularWeight: 431.29974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)O

InChI

InChI=1S/C21H20BrNO4/c22-16-6-2-3-7-18(16)27-19-13-26-21-14(20(19)25)8-9-17(24)15(21)12-23-10-4-1-5-11-23/h2-3,6-9,13,24H,1,4-5,10-12H2/p+1