2-phenyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide

Systemtic Name: 2-phenyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: 2-phenyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: 2-phenyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C25H29N4O+ MolecularWeight: 401.52396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c30-25(20-22-10-5-2-6-11-22)27-24-13-16-26-29(24)23-14-18-28(19-15-23)17-7-12-21-8-3-1-4-9-21/h1-13,16,23H,14-15,17-20H2,(H,27,30)/p+1/b12-7+