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

Systemtic Name: 3-(4-chlorophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H24ClN2O4+ MolecularWeight: 415.88996

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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/p+1