1-[2-(4-bromophenyl)sulfonylethyl]-4-(2-ethoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-(2-ethoxyphenyl)piperazin-1-ium Openeye Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-(2-ethoxyphenyl)piperazin-1-ium CAS Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-(2-ethoxyphenyl)piperazin-1-ium IUPAC Name: 1-[2-(4-bromophenyl)sulfonylethyl]-4-(2-ethoxyphenyl)piperazin-1-ium Traditional Name: 1-(2-brosylethyl)-4-o-phenetyl-piperazin-1-ium Formula: C20H26BrN2O3S+ MolecularWeight: 454.40104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H25BrN2O3S/c1-2-26-20-6-4-3-5-19(20)23-13-11-22(12-14-23)15-16-27(24,25)18-9-7-17(21)8-10-18/h3-10H,2,11-16H2,1H3/p+1