2-(4,5-dihydro-1,3-thiazol-3-ium-3-yl)-1-(4-pentylphenyl)ethanone bromide

Systemtic Name: 2-(4,5-dihydro-1,3-thiazol-3-ium-3-yl)-1-(4-pentylphenyl)ethanone bromide Openeye Name: 2-(4,5-dihydrothiazol-3-ium-3-yl)-1-(4-pentylphenyl)ethanone bromide CAS Name: 2-(4,5-dihydrothiazol-3-ium-3-yl)-1-(4-pentylphenyl)ethanone bromide IUPAC Name: 2-(4,5-dihydro-1,3-thiazol-3-ium-3-yl)-1-(4-pentylphenyl)ethanone bromide Traditional Name: 1-(4-amylphenyl)-2-(2-thiazolin-3-ium-3-yl)ethanone bromide Formula: C16H22BrNOS MolecularWeight: 356.32098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CSCC2.[Br-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CSCC2.[Br-]

InChI

InChI=1S/C16H22NOS.BrH/c1-2-3-4-5-14-6-8-15(9-7-14)16(18)12-17-10-11-19-13-17;/h6-9,13H,2-5,10-12H2,1H3;1H/q+1;/p-1