N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide CAS Name: N-(5-cyclopentyl-2-phenyl-3-pyrazolyl)-2-(4-hydroxy-1-piperidin-1-iumyl)acetamide IUPAC Name: N-(5-cyclopentyl-2-phenylpyrazol-3-yl)-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Traditional Name: N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCC(CC3)O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCC(CC3)O)C4=CC=CC=C4

InChI

InChI=1S/C21H28N4O2/c26-18-10-12-24(13-11-18)15-21(27)22-20-14-19(16-6-4-5-7-16)23-25(20)17-8-2-1-3-9-17/h1-3,8-9,14,16,18,26H,4-7,10-13,15H2,(H,22,27)/p+1