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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-piperazin-1-ium-2-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[(2R)-1-[(E)-cinnamyl]-3-keto-piperazin-1-ium-2-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCC2=CC=CS2)CC=CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCC2=CC=CS2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c25-20(22-11-10-18-9-5-15-27-18)16-19-21(26)23-12-14-24(19)13-4-8-17-6-2-1-3-7-17/h1-9,15,19H,10-14,16H2,(H,22,25)(H,23,26)/p+1/b8-4+/t19-/m1/s1