6-chloranyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 6-chloranyl-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C20H19ClN3O4+ MolecularWeight: 400.83556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC3=C(C2=O)C=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC3=C(C2=O)C=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O4/c21-15-1-6-19-18(11-15)20(25)14(13-28-19)12-22-7-9-23(10-8-22)16-2-4-17(5-3-16)24(26)27/h1-6,11,13H,7-10,12H2/p+1