N-(2,5-dimethylpyrazol-3-yl)-2-piperidin-1-ium-4-yl-ethanamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-2-piperidin-1-ium-4-yl-ethanamide Openeye Name: N-(2,5-dimethylpyrazol-3-yl)-2-piperidin-1-ium-4-yl-acetamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-2-(4-piperidin-1-iumyl)acetamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-2-piperidin-1-ium-4-ylacetamide Traditional Name: N-(2,5-dimethylpyrazol-3-yl)-2-piperidin-1-ium-4-yl-acetamide Formula: C12H21N4O+ MolecularWeight: 237.32134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CC2CC[NH2+]CC2)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CC2CC[NH2+]CC2)C

InChI

InChI=1S/C12H20N4O/c1-9-7-11(16(2)15-9)14-12(17)8-10-3-5-13-6-4-10/h7,10,13H,3-6,8H2,1-2H3,(H,14,17)/p+1