5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one; 1-(pentyldisulfanyl)pentane; chloride

Systemtic Name: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one; 1-(pentyldisulfanyl)pentane; chloride Openeye Name: 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one; 1-(pentyldisulfanyl)pentane; chloride CAS Name: 5-[[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]methyl]-2-methyl-1H-pyrimidin-6-one; 1-(pentyldisulfanyl)pentane; chloride IUPAC Name: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one; 1-(pentyldisulfanyl)pentane; chloride Traditional Name: 1-(amyldisulfanyl)pentane; 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one; chloride Formula: C22H38ClN3O2S3 MolecularWeight: 508.20402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSSCCCCC.CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Cl-]

Isomeric SMILES

CCCCCSSCCCCC.CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Cl-]

InChI

InChI=1S/C12H15N3O2S.C10H22S2.ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;1-3-5-7-9-11-12-10-8-6-4-2;/h5,7,16H,3-4,6H2,1-2H3;3-10H2,1-2H3;1H