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

Systemtic Name: 6,8-bis(chloranyl)-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6,8-dichloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6,8-dichloro-3-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6,8-dichloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6,8-dichloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C21H21Cl2N2O3+ MolecularWeight: 420.30904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=COC4=C(C=C(C=C4C3=O)Cl)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=COC4=C(C=C(C=C4C3=O)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O3/c1-27-17-4-2-3-16(11-17)25-7-5-24(6-8-25)12-14-13-28-21-18(20(14)26)9-15(22)10-19(21)23/h2-4,9-11,13H,5-8,12H2,1H3/p+1