N-[(2S)-3-methylbutan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-[(1S)-1,2-dimethylpropyl]acetamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-[(1S)-1,2-dimethylpropyl]acetamide Formula: C20H33N3O+2 MolecularWeight: 331.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C[NH+]1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)C[NH+]1CC[NH+](CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H31N3O/c1-17(2)18(3)21-20(24)16-23-14-12-22(13-15-23)11-7-10-19-8-5-4-6-9-19/h4-10,17-18H,11-16H2,1-3H3,(H,21,24)/p+2/b10-7+/t18-/m0/s1