6-chloranyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethylchromen-2-one Traditional Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-coumarin Formula: C22H23Cl2N2O2+ MolecularWeight: 418.33622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22Cl2N2O2/c1-14-10-19-21(15(2)22(14)24)16(11-20(27)28-19)13-25-6-8-26(9-7-25)18-5-3-4-17(23)12-18/h3-5,10-12H,6-9,13H2,1-2H3/p+1