1-[(3,4-dichlorophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3,4-dichlorobenzyl)-4-mesitylsulfonyl-piperazin-1-ium Formula: C20H25Cl2N2O2S+ MolecularWeight: 428.3957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C20H24Cl2N2O2S/c1-14-10-15(2)20(16(3)11-14)27(25,26)24-8-6-23(7-9-24)13-17-4-5-18(21)19(22)12-17/h4-5,10-12H,6-9,13H2,1-3H3/p+1