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

Systemtic Name: 6-chloranyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C21H21Cl2N2O2+ MolecularWeight: 404.30964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O2/c1-14-9-20-18(12-19(14)23)15(10-21(26)27-20)13-24-5-7-25(8-6-24)17-4-2-3-16(22)11-17/h2-4,9-12H,5-8,13H2,1H3/p+1