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

Systemtic Name: 6,8-bis(chloranyl)-3-[[4-(4-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6,8-dichloro-3-[[4-(p-tolyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6,8-dichloro-3-[[4-(4-methylphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6,8-dichloro-3-[[4-(4-methylphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6,8-dichloro-3-[[4-(p-tolyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C21H21Cl2N2O2+ MolecularWeight: 404.30964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=COC4=C(C=C(C=C4C3=O)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=COC4=C(C=C(C=C4C3=O)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O2/c1-14-2-4-17(5-3-14)25-8-6-24(7-9-25)12-15-13-27-21-18(20(15)26)10-16(22)11-19(21)23/h2-5,10-11,13H,6-9,12H2,1H3/p+1