N-[(2-bromophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromobenzyl)-N-methyl-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C21H27BrN3O3S+ MolecularWeight: 481.42638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N(C)CC3=CC=CC=C3Br

InChI

InChI=1S/C21H26BrN3O3S/c1-17-7-9-19(10-8-17)29(27,28)25-13-11-24(12-14-25)16-21(26)23(2)15-18-5-3-4-6-20(18)22/h3-10H,11-16H2,1-2H3/p+1