1-(phenylmethyl)-4-[2,4,5-tris(chloranyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-[2,4,5-tris(chloranyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-benzyl-4-(2,4,5-trichlorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2,4,5-trichlorophenyl)sulfonyl-piperazin-1-ium Formula: C17H18Cl3N2O2S+ MolecularWeight: 420.76102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3Cl)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C17H17Cl3N2O2S/c18-14-10-16(20)17(11-15(14)19)25(23,24)22-8-6-21(7-9-22)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2/p+1