2-[4-methyl-3-(1-oxidanylidene-1-selenophen-2-yl-propan-2-yl)-1,3-thiazol-3-ium-5-yl]ethyl ethanoate bromide

Systemtic Name: 2-[4-methyl-3-(1-oxidanylidene-1-selenophen-2-yl-propan-2-yl)-1,3-thiazol-3-ium-5-yl]ethyl ethanoate bromide Openeye Name: 2-[4-methyl-3-(1-methyl-2-oxo-2-selenophen-2-yl-ethyl)thiazol-3-ium-5-yl]ethyl acetate bromide CAS Name: acetic acid 2-[4-methyl-3-[1-oxo-1-(2-selenophenyl)propan-2-yl]-5-thiazol-3-iumyl]ethyl ester bromide IUPAC Name: 2-[4-methyl-3-(1-oxo-1-selenophen-2-ylpropan-2-yl)-1,3-thiazol-3-ium-5-yl]ethyl acetate bromide Traditional Name: acetic acid 2-[3-(2-keto-1-methyl-2-selenophen-2-yl-ethyl)-4-methyl-thiazol-3-ium-5-yl]ethyl ester bromide Formula: C15H18BrNO3SSe MolecularWeight: 451.23732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1C(C)C(=O)C2=CC=C[Se]2)CCOC(=O)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1C(C)C(=O)C2=CC=C[Se]2)CCOC(=O)C.[Br-]

InChI

InChI=1S/C15H18NO3SSe.BrH/c1-10-13(6-7-19-12(3)17)20-9-16(10)11(2)15(18)14-5-4-8-21-14;/h4-5,8-9,11H,6-7H2,1-3H3;1H/q+1;/p-1