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

Systemtic Name: 3-(2-methoxyphenyl)-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-3-(2-methoxyphenyl)-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 7-hydroxy-3-(2-methoxyphenyl)-8-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(2-methoxyphenyl)-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 7-hydroxy-3-(2-methoxyphenyl)-8-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C28H29N2O5+ MolecularWeight: 473.54026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5OC)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5OC)O

InChI

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