8-[[4-(3,4-dimethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one

Systemtic Name: 8-[[4-(3,4-dimethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 8-[[4-(3,4-dimethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromen-4-one CAS Name: 8-[[4-(3,4-dimethoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-3-phenyl-1-benzopyran-4-one IUPAC Name: 8-[[4-(3,4-dimethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenylchromen-4-one Traditional Name: 8-[[4-(3,4-dimethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-3-phenyl-chromone Formula: C28H29N2O5+ MolecularWeight: 473.54026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O)OC

InChI

InChI=1S/C28H28N2O5/c1-33-25-11-8-20(16-26(25)34-2)30-14-12-29(13-15-30)17-22-24(31)10-9-21-27(32)23(18-35-28(21)22)19-6-4-3-5-7-19/h3-11,16,18,31H,12-15,17H2,1-2H3/p+1