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

Systemtic Name: 3-(4-bromophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-bromophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxo-chromen-7-olate CAS Name: 3-(4-bromophenyl)-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(4-bromophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-2-methyl-chromen-7-olate Formula: C23H25BrN2O4 MolecularWeight: 473.3596

Click to see the large picture

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