1-(4-bromophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(4-bromophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: 1-(4-bromophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one CAS Name: 1-(4-bromophenyl)-3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-(4-bromophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: 1-(4-bromophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Formula: C21H26BrN2O3S+ MolecularWeight: 466.41174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H25BrN2O3S/c1-16-3-8-21(17(2)15-16)28(26,27)24-13-11-23(12-14-24)10-9-20(25)18-4-6-19(22)7-5-18/h3-8,15H,9-14H2,1-2H3/p+1