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

Systemtic Name: 3-(2,4-dichlorophenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2,4-dichlorophenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2,4-dichlorophenyl)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2,4-dichlorophenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(2,4-dichlorophenyl)-4-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C21H20Cl2N2O3 MolecularWeight: 419.3011

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)[O-]

Isomeric SMILES

CN1CC[NH+](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