2-[2-(4-pentylphenyl)-4,5-dihydro-1,3-thiazol-3-ium-3-yl]ethanal bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=[N+](CCS2)CC=O.[Br-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=[N+](CCS2)CC=O.[Br-]

InChI

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