2-[2-[4-methyl-1,5-bis(oxidanyl)pentan-2-yl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]-1-phenyl-ethanone

Systemtic Name: 2-[2-[4-methyl-1,5-bis(oxidanyl)pentan-2-yl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]-1-phenyl-ethanone Openeye Name: 2-[2-[4-hydroxy-1-(hydroxymethyl)-3-methyl-butyl]-4,5-dihydrothiazol-3-ium-3-yl]-1-phenyl-ethanone CAS Name: 2-[2-(1,5-dihydroxy-4-methylpentan-2-yl)-4,5-dihydrothiazol-3-ium-3-yl]-1-phenylethanone IUPAC Name: 2-[2-(1,5-dihydroxy-4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-3-ium-3-yl]-1-phenylethanone Traditional Name: 2-[2-(4-hydroxy-3-methyl-1-methylol-butyl)-2-thiazolin-3-ium-3-yl]-1-phenyl-ethanone Formula: C17H24NO3S+ MolecularWeight: 322.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CO)C1=[N+](CCS1)CC(=O)C2=CC=CC=C2)CO

Isomeric SMILES

CC(CC(CO)C1=[N+](CCS1)CC(=O)C2=CC=CC=C2)CO

InChI

InChI=1S/C17H24NO3S/c1-13(11-19)9-15(12-20)17-18(7-8-22-17)10-16(21)14-5-3-2-4-6-14/h2-6,13,15,19-20H,7-12H2,1H3/q+1