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

Systemtic Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: (2S)-N-[2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide CAS Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: (2S)-N-[2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CO[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2/c1-32-25(22-12-6-3-7-13-22)26(31)28-24-14-17-27-30(24)23-15-19-29(20-16-23)18-8-11-21-9-4-2-5-10-21/h2-14,17,23,25H,15-16,18-20H2,1H3,(H,28,31)/p+1/b11-8+/t25-/m0/s1