6,8-bis(chloranyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 6,8-bis(chloranyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6,8-dichloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6,8-dichloro-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6,8-dichloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6,8-dichloro-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C20H18Cl2N3O4+ MolecularWeight: 435.28062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17Cl2N3O4/c21-14-9-17-19(26)13(12-29-20(17)18(22)10-14)11-23-5-7-24(8-6-23)15-1-3-16(4-2-15)25(27)28/h1-4,9-10,12H,5-8,11H2/p+1