N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-(4-benzoyl-1-piperidin-1-iumyl)-N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(5-cyclopropyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-(4-benzoylpiperidin-1-ium-1-yl)-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C26H29N4O2+ MolecularWeight: 429.53406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2/c31-25(18-29-15-13-21(14-16-29)26(32)20-7-3-1-4-8-20)27-24-17-23(19-11-12-19)28-30(24)22-9-5-2-6-10-22/h1-10,17,19,21H,11-16,18H2,(H,27,31)/p+1