2-[5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methyl-pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methyl-pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methyl-pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[5-[2-[(4-methoxyphenyl)thio]ethyl]-2-methyl-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[5-[2-(4-methoxyphenyl)sulfanylethyl]-2-methylpyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[5-[2-[(4-methoxyphenyl)thio]ethyl]-2-methyl-pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C23H24BrNO2S MolecularWeight: 458.41116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)CCSC2=CC=C(C=C2)OC)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)CCSC2=CC=C(C=C2)OC)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H24NO2S.BrH/c1-18-8-9-19(14-15-27-22-12-10-21(26-2)11-13-22)16-24(18)17-23(25)20-6-4-3-5-7-20;/h3-13,16H,14-15,17H2,1-2H3;1H/q+1;/p-1