(2R,3S,4S)-2-(hydroxymethyl)-1-tetradecyl-thiolan-1-ium-3,4-diol chloride

Systemtic Name: (2R,3S,4S)-2-(hydroxymethyl)-1-tetradecyl-thiolan-1-ium-3,4-diol chloride Openeye Name: (2R,3S,4S)-2-(hydroxymethyl)-1-tetradecyl-tetrahydrothiophen-1-ium-3,4-diol chloride CAS Name: (2R,3S,4S)-2-(hydroxymethyl)-1-tetradecylthiolan-1-ium-3,4-diol chloride IUPAC Name: (2R,3S,4S)-2-(hydroxymethyl)-1-tetradecylthiolan-1-ium-3,4-diol chloride Traditional Name: (2R,3S,4S)-2-methylol-1-myristyl-tetrahydrothiophen-1-ium-3,4-diol chloride Formula: C19H39ClO3S MolecularWeight: 383.02916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[S+]1CC(C(C1CO)O)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC[S+]1C[C@H]([C@@H]([C@H]1CO)O)O.[Cl-]

InChI

InChI=1S/C19H39O3S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-16-17(21)19(22)18(23)15-20;/h17-22H,2-16H2,1H3;1H/q+1;/p-1/t17-,18-,19+,23?;/m1./s1