3-methyl-3-(2-morpholin-4-ium-4-yl-1,3-thiazol-4-yl)butan-2-one perchlorate

Systemtic Name: 3-methyl-3-(2-morpholin-4-ium-4-yl-1,3-thiazol-4-yl)butan-2-one perchlorate Openeye Name: 3-methyl-3-(2-morpholin-4-ium-4-ylthiazol-4-yl)butan-2-one perchlorate CAS Name: 3-methyl-3-[2-(4-morpholin-4-iumyl)-4-thiazolyl]-2-butanone perchlorate IUPAC Name: 3-methyl-3-(2-morpholin-4-ium-4-yl-1,3-thiazol-4-yl)butan-2-one perchlorate Traditional Name: 3-methyl-3-(2-morpholin-4-ium-4-ylthiazol-4-yl)butan-2-one perchlorate Formula: C12H19ClN2O6S MolecularWeight: 354.80706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)C1=CSC(=N1)[NH+]2CCOCC2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(=O)C(C)(C)C1=CSC(=N1)[NH+]2CCOCC2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H18N2O2S.ClHO4/c1-9(15)12(2,3)10-8-17-11(13-10)14-4-6-16-7-5-14;2-1(3,4)5/h8H,4-7H2,1-3H3;(H,2,3,4,5)