1-[4-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(2-bromobenzyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C19H22BrN2O3S+ MolecularWeight: 438.35858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3S/c1-15(23)16-6-8-18(9-7-16)26(24,25)22-12-10-21(11-13-22)14-17-4-2-3-5-19(17)20/h2-9H,10-14H2,1H3/p+1