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

Systemtic Name: 1-[4-[4-[(4-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(4-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(4-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(4-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C17H20BrN2OS+ MolecularWeight: 380.3225

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=CS3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=CS3)Br

InChI

InChI=1S/C17H19BrN2OS/c1-13(21)14-2-4-16(5-3-14)20-8-6-19(7-9-20)11-17-10-15(18)12-22-17/h2-5,10,12H,6-9,11H2,1H3/p+1