N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H29N4O+ MolecularWeight: 341.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H28N4O/c1-16-19(13-21-20(25)15-23-11-7-4-8-12-23)17(2)24(22-16)14-18-9-5-3-6-10-18/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3,(H,21,25)/p+1