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

Systemtic Name: N-[(2S)-2-phenylbutyl]-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-[(2S)-2-phenylbutyl]acetamide CAS Name: N-[(2S)-2-phenylbutyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2S)-2-phenylbutyl]-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-[(2S)-2-phenylbutyl]acetamide Formula: C25H35N3O+2 MolecularWeight: 393.5649

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C[NH+]1CC[NH+](CC1)CC=CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)C[NH+]1CC[NH+](CC1)C/C=C/C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O/c1-2-23(24-13-7-4-8-14-24)20-26-25(29)21-28-18-16-27(17-19-28)15-9-12-22-10-5-3-6-11-22/h3-14,23H,2,15-21H2,1H3,(H,26,29)/p+2/b12-9+/t23-/m1/s1