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

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

Systemtic Name:1-(4-pentylphenyl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide
Openeye Name:1-(4-pentylphenyl)-2-thiazol-3-ium-3-yl-ethanone bromide
CAS Name:1-(4-pentylphenyl)-2-(3-thiazol-3-iumyl)ethanone bromide
IUPAC Name:1-(4-pentylphenyl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide
Traditional Name:1-(4-amylphenyl)-2-thiazol-3-ium-3-yl-ethanone bromide
Formula: C16H20BrNOS
MolecularWeight: 354.3051
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CSC=C2.[Br-]


Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CSC=C2.[Br-]


InChI

InChI=1S/C16H20NOS.BrH/c1-2-3-4-5-14-6-8-15(9-7-14)16(18)12-17-10-11-19-13-17;/h6-11,13H,2-5,12H2,1H3;1H/q+1;/p-1


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