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

Systemtic Name: 8-[[4-(3-nitrophenyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-3-phenyl-chromen-4-one Openeye Name: 7-hydroxy-8-[[4-(3-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-chromen-4-one CAS Name: 7-hydroxy-8-[[4-(3-nitrophenyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[4-(3-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenylchromen-4-one Traditional Name: 7-hydroxy-8-[[4-(3-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-chromone Formula: C26H24N3O5+ MolecularWeight: 458.48586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O5/c30-24-10-9-21-25(31)23(18-5-2-1-3-6-18)17-34-26(21)22(24)16-27-11-13-28(14-12-27)19-7-4-8-20(15-19)29(32)33/h1-10,15,17,30H,11-14,16H2/p+1