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

Systemtic Name: 6-chloranyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-7-olate Traditional Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-keto-chromen-7-olate Formula: C20H18Cl2N2O3 MolecularWeight: 405.27452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H18Cl2N2O3/c21-14-2-1-3-15(9-14)24-6-4-23(5-7-24)12-13-8-20(26)27-19-11-18(25)17(22)10-16(13)19/h1-3,8-11,25H,4-7,12H2