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

Systemtic Name: 4-[2-(4,6-dimethylpyrimidin-1-ium-2-yl)sulfanylethyl]morpholin-4-ium Openeye Name: 4-[2-(4,6-dimethylpyrimidin-1-ium-2-yl)sulfanylethyl]morpholin-4-ium CAS Name: 4-[2-[(4,6-dimethyl-2-pyrimidin-1-iumyl)thio]ethyl]morpholin-4-ium IUPAC Name: 4-[2-(4,6-dimethylpyrimidin-1-ium-2-yl)sulfanylethyl]morpholin-4-ium Traditional Name: 4-[2-[(4,6-dimethylpyrimidin-1-ium-2-yl)thio]ethyl]morpholin-4-ium Formula: C12H21N3OS+2 MolecularWeight: 255.37964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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