N-[4-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(3-bromobenzyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C19H23BrN3O3S+ MolecularWeight: 453.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H22BrN3O3S/c1-15(24)21-18-5-7-19(8-6-18)27(25,26)23-11-9-22(10-12-23)14-16-3-2-4-17(20)13-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)/p+1