N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C18H27N6O+ MolecularWeight: 343.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC(=NN2C3=NC(=CC(=N3)C)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC(=NN2C3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C18H26N6O/c1-12-6-5-7-23(10-12)11-17(25)21-16-9-15(4)22-24(16)18-19-13(2)8-14(3)20-18/h8-9,12H,5-7,10-11H2,1-4H3,(H,21,25)/p+1/t12-/m0/s1