2-[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)ethanamide Openeye Name: N-(2-isopropylpyrazol-3-yl)-2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]-N-(2-propan-2-yl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide Traditional Name: N-(2-isopropylpyrazol-3-yl)-2-(4-p-anisoylpiperidin-1-ium-1-yl)acetamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N4O3/c1-15(2)25-19(8-11-22-25)23-20(26)14-24-12-9-17(10-13-24)21(27)16-4-6-18(28-3)7-5-16/h4-8,11,15,17H,9-10,12-14H2,1-3H3,(H,23,26)/p+1