N-(2,4-dimethylpyrazol-3-yl)-2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2,4-dimethylpyrazol-3-yl)-2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethanamide Openeye Name: N-(2,4-dimethylpyrazol-3-yl)-2-[(2S)-1-methylpiperidin-1-ium-2-yl]acetamide CAS Name: N-(2,4-dimethyl-3-pyrazolyl)-2-[(2S)-1-methyl-2-piperidin-1-iumyl]acetamide IUPAC Name: N-(2,4-dimethylpyrazol-3-yl)-2-[(2S)-1-methylpiperidin-1-ium-2-yl]acetamide Traditional Name: N-(2,4-dimethylpyrazol-3-yl)-2-[(2S)-1-methylpiperidin-1-ium-2-yl]acetamide Formula: C13H23N4O+ MolecularWeight: 251.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1)C)NC(=O)CC2CCCC[NH+]2C

Isomeric SMILES

CC1=C(N(N=C1)C)NC(=O)C[C@@H]2CCCC[NH+]2C

InChI

InChI=1S/C13H22N4O/c1-10-9-14-17(3)13(10)15-12(18)8-11-6-4-5-7-16(11)2/h9,11H,4-8H2,1-3H3,(H,15,18)/p+1/t11-/m0/s1