6-chloranyl-4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C23H26ClN2O4S+ MolecularWeight: 461.98154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C

InChI

InChI=1S/C23H25ClN2O4S/c1-15-4-5-19(10-16(15)2)31(28,29)26-8-6-25(7-9-26)14-18-12-23(27)30-22-11-17(3)21(24)13-20(18)22/h4-5,10-13H,6-9,14H2,1-3H3/p+1