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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-1-[(E)-cinnamyl]-3-keto-piperazin-1-ium-2-yl]-N-(3-imidazol-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=CN=C2)CC=CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCN2C=CN=C2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c27-20(23-9-5-12-25-14-10-22-17-25)16-19-21(28)24-11-15-26(19)13-4-8-18-6-2-1-3-7-18/h1-4,6-8,10,14,17,19H,5,9,11-13,15-16H2,(H,23,27)(H,24,28)/p+1/b8-4+/t19-/m1/s1