(2R)-2-cyano-N-phenethyl-2-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanamide

Systemtic Name: (2R)-2-cyano-N-phenethyl-2-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2R)-2-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]-2-cyano-N-phenethyl-acetamide CAS Name: (2R)-2-cyano-N-phenethyl-2-[3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-quinoxalinyl]acetamide IUPAC Name: (2R)-2-cyano-N-phenethyl-2-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]acetamide Traditional Name: (2R)-2-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]-2-cyano-N-phenethyl-acetamide Formula: C32H33N6O+ MolecularWeight: 517.64402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3[C@H](C#N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C32H32N6O/c33-24-27(32(39)34-18-17-26-12-5-2-6-13-26)30-31(36-29-16-8-7-15-28(29)35-30)38-22-20-37(21-23-38)19-9-14-25-10-3-1-4-11-25/h1-16,27H,17-23H2,(H,34,39)/p+1/b14-9+/t27-/m0/s1