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

Systemtic Name: 3-(4-chlorophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-chlorophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 3-(4-chlorophenyl)-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-chlorophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-7-olate Traditional Name: 3-(4-chlorophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-keto-chromen-7-olate Formula: C22H23ClN2O4 MolecularWeight: 414.88202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4/c23-17-4-1-15(2-5-17)18-13-16-3-6-20(27)19(21(16)29-22(18)28)14-25-9-7-24(8-10-25)11-12-26/h1-6,13,26-27H,7-12,14H2