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

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl ethanoate bromide Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-4-methyl-thiazol-3-ium-5-yl]ethyl acetate bromide CAS Name: acetic acid 2-[3-(2-amino-2-oxoethyl)-4-methyl-5-thiazol-3-iumyl]ethyl ester bromide IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl acetate bromide Traditional Name: acetic acid 2-[3-(2-amino-2-keto-ethyl)-4-methyl-thiazol-3-ium-5-yl]ethyl ester bromide Formula: C10H15BrN2O3S MolecularWeight: 323.2067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O3S.BrH/c1-7-9(3-4-15-8(2)13)16-6-12(7)5-10(11)14;/h6H,3-5H2,1-2H3,(H-,11,14);1H