3-(4-chlorophenyl)-7-oxidanyl-8-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-(4-chlorophenyl)-7-oxidanyl-8-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-4-one Openeye Name: 8-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-chromen-4-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-4-one IUPAC Name: 8-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxychromen-4-one Traditional Name: 8-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-chromone Formula: C27H27ClN2O3+2 MolecularWeight: 462.96788

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)Cl)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=C(C=C5)Cl)O

InChI

InChI=1S/C27H25ClN2O3/c28-21-8-6-20(7-9-21)24-18-33-27-22(26(24)32)10-11-25(31)23(27)17-30-14-12-29(13-15-30)16-19-4-2-1-3-5-19/h1-11,18,31H,12-17H2/p+2