N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: N-[3-(1-piperidin-1-iumylmethyl)phenyl]-2-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: N-[3-(piperidin-1-ium-1-ylmethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)NC2=CC=CC(=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)NC2=CC=CC(=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H28N4O/c1-15-19(16(2)23(3)22-15)13-20(25)21-18-9-7-8-17(12-18)14-24-10-5-4-6-11-24/h7-9,12H,4-6,10-11,13-14H2,1-3H3,(H,21,25)/p+1