(2S)-3-[[2-(dimethylamino)-6-ethyl-pyrimidin-3-ium-4-yl]amino]propane-1,2-diol

Systemtic Name: (2S)-3-[[2-(dimethylamino)-6-ethyl-pyrimidin-3-ium-4-yl]amino]propane-1,2-diol Openeye Name: (2S)-3-[[2-(dimethylamino)-6-ethyl-pyrimidin-3-ium-4-yl]amino]propane-1,2-diol CAS Name: (2S)-3-[[2-(dimethylamino)-6-ethyl-4-pyrimidin-3-iumyl]amino]propane-1,2-diol IUPAC Name: (2S)-3-[[2-(dimethylamino)-6-ethylpyrimidin-3-ium-4-yl]amino]propane-1,2-diol Traditional Name: (2S)-3-[[2-(dimethylamino)-6-ethyl-pyrimidin-3-ium-4-yl]amino]propane-1,2-diol Formula: C11H21N4O2+ MolecularWeight: 241.31004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=[NH+]C(=N1)N(C)C)NCC(CO)O

Isomeric SMILES

CCC1=CC(=[NH+]C(=N1)N(C)C)NC[C@@H](CO)O

InChI

InChI=1S/C11H20N4O2/c1-4-8-5-10(12-6-9(17)7-16)14-11(13-8)15(2)3/h5,9,16-17H,4,6-7H2,1-3H3,(H,12,13,14)/p+1/t9-/m0/s1