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

Systemtic Name: 4-[[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C21H20ClN2O4+ MolecularWeight: 399.8475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4/c22-18-4-2-1-3-17(18)21(27)24-9-7-23(8-10-24)13-14-11-20(26)28-19-12-15(25)5-6-16(14)19/h1-6,11-12,25H,7-10,13H2/p+1