2-[4-methyl-5-(6-oxidanylhexyl)-1,3-thiazol-3-ium-3-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[4-methyl-5-(6-oxidanylhexyl)-1,3-thiazol-3-ium-3-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[5-(6-hydroxyhexyl)-4-methyl-thiazol-3-ium-3-yl]-1-(2-thienyl)ethanone CAS Name: 2-[5-(6-hydroxyhexyl)-4-methyl-3-thiazol-3-iumyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[5-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[5-(6-hydroxyhexyl)-4-methyl-thiazol-3-ium-3-yl]-1-(2-thienyl)ethanone Formula: C16H22NO2S2+ MolecularWeight: 324.48138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CS2)CCCCCCO

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CS2)CCCCCCO

InChI

InChI=1S/C16H22NO2S2/c1-13-15(7-4-2-3-5-9-18)21-12-17(13)11-14(19)16-8-6-10-20-16/h6,8,10,12,18H,2-5,7,9,11H2,1H3/q+1