2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl-diethyl-azanium

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl-diethyl-azanium Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl-diethyl-ammonium CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl-diethylammonium IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl-diethylazanium Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl-diethyl-ammonium Formula: C12H22N3S+ MolecularWeight: 240.38818

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=CC(=N1)C)C

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=CC(=N1)C)C

InChI

InChI=1S/C12H21N3S/c1-5-15(6-2)7-8-16-12-13-10(3)9-11(4)14-12/h9H,5-8H2,1-4H3/p+1