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

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C26H23ClN2O3 MolecularWeight: 446.92542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H23ClN2O3/c27-20-7-4-8-21(14-20)29-11-9-28(10-12-29)17-19-13-26(31)32-25-16-22(24(30)15-23(19)25)18-5-2-1-3-6-18/h1-8,13-16,30H,9-12,17H2