1-[(3-bromophenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-bromobenzyl)-4-tosyl-piperazin-1-ium Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O2S/c1-15-5-7-18(8-6-15)24(22,23)21-11-9-20(10-12-21)14-16-3-2-4-17(19)13-16/h2-8,13H,9-12,14H2,1H3/p+1