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

Systemtic Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]-1-naphthalen-2-yl-ethanone bromide Openeye Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-2-yl]-1-(2-naphthyl)ethanone bromide CAS Name: 2-[5-(2-hydroxyethyl)-4-methyl-2-thiazol-3-iumyl]-1-(2-naphthalenyl)ethanone bromide IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]-1-naphthalen-2-ylethanone bromide Traditional Name: 2-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-2-yl]-1-(2-naphthyl)ethanone bromide Formula: C18H18BrNO2S MolecularWeight: 392.31002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[NH+]1)CC(=O)C2=CC3=CC=CC=C3C=C2)CCO.[Br-]

Isomeric SMILES

CC1=C(SC(=[NH+]1)CC(=O)C2=CC3=CC=CC=C3C=C2)CCO.[Br-]

InChI

InChI=1S/C18H17NO2S.BrH/c1-12-17(8-9-20)22-18(19-12)11-16(21)15-7-6-13-4-2-3-5-14(13)10-15;/h2-7,10,20H,8-9,11H2,1H3;1H