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

Systemtic Name: 3-(2-bromanylphenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2-bromophenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-chromen-4-one CAS Name: 3-(2-bromophenoxy)-8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-1-benzopyran-4-one IUPAC Name: 3-(2-bromophenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxychromen-4-one Traditional Name: 3-(2-bromophenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-chromone Formula: C22H24BrN2O4+ MolecularWeight: 460.34096

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)O

InChI

InChI=1S/C22H23BrN2O4/c1-2-24-9-11-25(12-10-24)13-16-18(26)8-7-15-21(27)20(14-28-22(15)16)29-19-6-4-3-5-17(19)23/h3-8,14,26H,2,9-13H2,1H3/p+1