1-(4-bromophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(4-bromophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-brosyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium Formula: C19H24BrN2O3S+ MolecularWeight: 440.37446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H23BrN2O3S/c1-16-2-6-18(7-3-16)25-15-14-21-10-12-22(13-11-21)26(23,24)19-8-4-17(20)5-9-19/h2-9H,10-15H2,1H3/p+1