(3S)-N-(4,6-dimethylpyrimidin-2-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(4,6-dimethylpyrimidin-2-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(4,6-dimethylpyrimidin-2-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(4,6-dimethyl-2-pyrimidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(4,6-dimethylpyrimidin-2-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(4,6-dimethylpyrimidin-2-yl)piperidin-1-ium-3-carboxamide Formula: C12H19N4O+ MolecularWeight: 235.30546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)C2CCC[NH2+]C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)[C@H]2CCC[NH2+]C2)C

InChI

InChI=1S/C12H18N4O/c1-8-6-9(2)15-12(14-8)16-11(17)10-4-3-5-13-7-10/h6,10,13H,3-5,7H2,1-2H3,(H,14,15,16,17)/p+1/t10-/m0/s1