4-[2-(4,6-dimethylpyrimidin-1-ium-2-yl)sulfanylethyl]morpholin-4-ium dichloride

Systemtic Name: 4-[2-(4,6-dimethylpyrimidin-1-ium-2-yl)sulfanylethyl]morpholin-4-ium dichloride Openeye Name: 4-[2-(4,6-dimethylpyrimidin-1-ium-2-yl)sulfanylethyl]morpholin-4-ium dichloride CAS Name: 4-[2-[(4,6-dimethyl-2-pyrimidin-1-iumyl)thio]ethyl]morpholin-4-ium dichloride IUPAC Name: 4-[2-(4,6-dimethylpyrimidin-1-ium-2-yl)sulfanylethyl]morpholin-4-ium dichloride Traditional Name: 4-[2-[(4,6-dimethylpyrimidin-1-ium-2-yl)thio]ethyl]morpholin-4-ium dichloride Formula: C12H21Cl2N3OS MolecularWeight: 326.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)SCC[NH+]2CCOCC2)C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)SCC[NH+]2CCOCC2)C.[Cl-].[Cl-]

InChI

InChI=1S/C12H19N3OS.2ClH/c1-10-9-11(2)14-12(13-10)17-8-5-15-3-6-16-7-4-15;;/h9H,3-8H2,1-2H3;2*1H