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

Systemtic Name: 2-[5-(2-hydroxyethyl)-4-methyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl]-1-(4-pentylphenyl)ethanone bromide Openeye Name: 2-[5-(2-hydroxyethyl)-4-methyl-4,5-dihydrothiazol-3-ium-3-yl]-1-(4-pentylphenyl)ethanone bromide CAS Name: 2-[5-(2-hydroxyethyl)-4-methyl-4,5-dihydrothiazol-3-ium-3-yl]-1-(4-pentylphenyl)ethanone bromide IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl]-1-(4-pentylphenyl)ethanone bromide Traditional Name: 1-(4-amylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-2-thiazolin-3-ium-3-yl]ethanone bromide Formula: C19H28BrNO2S MolecularWeight: 414.40012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CSC(C2C)CCO.[Br-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CSC(C2C)CCO.[Br-]

InChI

InChI=1S/C19H28NO2S.BrH/c1-3-4-5-6-16-7-9-17(10-8-16)18(22)13-20-14-23-19(11-12-21)15(20)2;/h7-10,14-15,19,21H,3-6,11-13H2,1-2H3;1H/q+1;/p-1