1-[4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C17H20BrN2O3S2+ MolecularWeight: 444.3863

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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=C(S3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C17H19BrN2O3S2/c1-13(21)14-2-5-16(6-3-14)25(22,23)20-10-8-19(9-11-20)12-15-4-7-17(18)24-15/h2-7H,8-12H2,1H3/p+1