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

Systemtic Name: 8-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 7-hydroxy-8-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-chromen-4-one CAS Name: 7-hydroxy-8-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-phenylchromen-4-one Traditional Name: 7-hydroxy-8-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-chromone Formula: C27H27N2O4+ MolecularWeight: 443.51428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC4=C3OC=C(C4=O)C5=CC=CC=C5)O

InChI

InChI=1S/C27H26N2O4/c1-32-25-10-6-5-9-23(25)29-15-13-28(14-16-29)17-21-24(30)12-11-20-26(31)22(18-33-27(20)21)19-7-3-2-4-8-19/h2-12,18,30H,13-17H2,1H3/p+1