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

Systemtic Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C20H20ClN2O3+ MolecularWeight: 371.8374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H19ClN2O3/c21-17-3-1-2-4-18(17)23-9-7-22(8-10-23)13-14-11-20(25)26-19-12-15(24)5-6-16(14)19/h1-6,11-12,24H,7-10,13H2/p+1