3-(2,4-dichlorophenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(2,4-dichlorophenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one CAS Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one Traditional Name: 3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromone Formula: C21H21Cl2N2O3+ MolecularWeight: 420.30904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O

InChI

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