1-[2-(4-bromophenyl)sulfonylethyl]-4-(2,3-dimethylphenyl)piperazin-1-ium

Systemtic Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-(2-brosylethyl)-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C20H26BrN2O2S+ MolecularWeight: 438.40164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O2S/c1-16-4-3-5-20(17(16)2)23-12-10-22(11-13-23)14-15-26(24,25)19-8-6-18(21)7-9-19/h3-9H,10-15H2,1-2H3/p+1