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

Systemtic Name: 3-(4-bromophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-7-oxidanyl-chromen-4-one Openeye Name: 3-(4-bromophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-chromen-4-one CAS Name: 3-(4-bromophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-methyl-1-benzopyran-4-one IUPAC Name: 3-(4-bromophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methylchromen-4-one Traditional Name: 3-(4-bromophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-chromone Formula: C23H26BrN2O4+ MolecularWeight: 474.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCN(CC3)CCO)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCN(CC3)CCO)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H25BrN2O4/c1-15-21(16-2-4-17(24)5-3-16)22(29)18-6-7-20(28)19(23(18)30-15)14-26-10-8-25(9-11-26)12-13-27/h2-7,27-28H,8-14H2,1H3/p+1