3-(5-pentoxypentyl)-2-propylsulfinyl-1,3-thiazol-3-ium chloride

Systemtic Name: 3-(5-pentoxypentyl)-2-propylsulfinyl-1,3-thiazol-3-ium chloride Openeye Name: 3-(5-pentoxypentyl)-2-propylsulfinyl-thiazol-3-ium chloride CAS Name: 3-(5-pentoxypentyl)-2-propylsulfinylthiazol-3-ium chloride IUPAC Name: 3-(5-pentoxypentyl)-2-propylsulfinyl-1,3-thiazol-3-ium chloride Traditional Name: 3-(5-amoxypentyl)-2-propylsulfinyl-thiazol-3-ium chloride Formula: C16H30ClNO2S2 MolecularWeight: 367.9979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCCCCC[N+]1=C(SC=C1)S(=O)CCC.[Cl-]

Isomeric SMILES

CCCCCOCCCCC[N+]1=C(SC=C1)S(=O)CCC.[Cl-]

InChI

InChI=1S/C16H30NO2S2.ClH/c1-3-5-8-12-19-13-9-6-7-10-17-11-14-20-16(17)21(18)15-4-2;/h11,14H,3-10,12-13,15H2,1-2H3;1H/q+1;/p-1