2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]-N-[3-(1-pyrazolyl)propyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Traditional Name: 2-[(2R)-1-[(E)-cinnamyl]-3-keto-piperazin-1-ium-2-yl]-N-(3-pyrazol-1-ylpropyl)acetamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCN2C=CC=N2)CC=CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCN2C=CC=N2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c27-20(22-10-5-14-26-15-6-11-24-26)17-19-21(28)23-12-16-25(19)13-4-9-18-7-2-1-3-8-18/h1-4,6-9,11,15,19H,5,10,12-14,16-17H2,(H,22,27)(H,23,28)/p+1/b9-4+/t19-/m1/s1