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

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydroxy-chromen-2-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-7,8-dihydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydroxychromen-2-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydroxy-coumarin Formula: C20H20ClN2O4+ MolecularWeight: 387.8368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H19ClN2O4/c21-14-2-1-3-15(11-14)23-8-6-22(7-9-23)12-13-10-18(25)27-20-16(13)4-5-17(24)19(20)26/h1-5,10-11,24,26H,6-9,12H2/p+1