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

Systemtic Name: 3-(4-chlorophenyl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromen-2-olate Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-chromen-2-olate CAS Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-1-benzopyran-2-olate IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxochromen-2-olate Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-4-keto-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-olate Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c1-23-8-10-24(11-9-23)12-16-17(25)7-6-15-19(26)18(21(27)28-20(15)16)13-2-4-14(22)5-3-13/h2-7,25,27H,8-12H2,1H3