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

Systemtic Name: N-[(1-ethylimidazol-2-yl)methyl]-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-[(1-ethylimidazol-2-yl)methyl]acetamide CAS Name: N-[(1-ethyl-2-imidazolyl)methyl]-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-ethylimidazol-2-yl)methyl]-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-[(1-ethylimidazol-2-yl)methyl]acetamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1CNC(=O)CC2C(=O)NCC[NH+]2CC=CC3=CC=CC=C3

Isomeric SMILES

CCN1C=CN=C1CNC(=O)C[C@@H]2C(=O)NCC[NH+]2C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c1-2-25-13-10-22-19(25)16-24-20(27)15-18-21(28)23-11-14-26(18)12-6-9-17-7-4-3-5-8-17/h3-10,13,18H,2,11-12,14-16H2,1H3,(H,23,28)(H,24,27)/p+1/b9-6+/t18-/m1/s1