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

Systemtic Name: 2-[5-(1-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-thiomorpholin-4-yl-ethanone chloride Openeye Name: 2-[5-(1-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-thiomorpholino-ethanone chloride CAS Name: 2-[5-(1-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-1-thiomorpholin-4-ylethanone chloride IUPAC Name: 2-[5-(1-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-thiomorpholin-4-ylethanone chloride Traditional Name: 2-[5-(1-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]-1-thiomorpholino-ethanone chloride Formula: C12H19ClN2O2S2 MolecularWeight: 322.87446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)N2CCSCC2)C(C)O.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)N2CCSCC2)C(C)O.[Cl-]

InChI

InChI=1S/C12H19N2O2S2.ClH/c1-9-12(10(2)15)18-8-14(9)7-11(16)13-3-5-17-6-4-13;/h8,10,15H,3-7H2,1-2H3;1H/q+1;/p-1