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

Systemtic Name: 4-phenyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: N-[2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: 4-phenyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 4-phenyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: N-[2-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O/c32-27(15-7-13-23-9-3-1-4-10-23)29-26-16-19-28-31(26)25-17-21-30(22-18-25)20-8-14-24-11-5-2-6-12-24/h1-6,8-12,14,16,19,25H,7,13,15,17-18,20-22H2,(H,29,32)/p+1/b14-8+