1-[4-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[2-(3-bromophenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[2-(3-bromophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[2-(3-bromophenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C16H19BrN3OS+ MolecularWeight: 381.31056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CSC(=N2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CSC(=N2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H18BrN3OS/c1-12(21)20-7-5-19(6-8-20)10-15-11-22-16(18-15)13-3-2-4-14(17)9-13/h2-4,9,11H,5-8,10H2,1H3/p+1