3-(4-bromophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Br)O)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Br)O)CCO

InChI

InChI=1S/C22H23BrN2O4/c23-16-3-1-15(2-4-16)19-14-29-22-17(21(19)28)5-6-20(27)18(22)13-25-9-7-24(8-10-25)11-12-26/h1-6,14,26-27H,7-13H2/p+1