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

Systemtic Name: (2R)-2-cyano-N-cyclopropyl-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-cyclopropyl-acetamide CAS Name: (2R)-2-cyano-N-cyclopropyl-2-[3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-quinoxalinyl]acetamide IUPAC Name: (2R)-2-cyano-N-cyclopropyl-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-cyclopropyl-acetamide Formula: C27H29N6O+ MolecularWeight: 453.55876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)[C@@H](C#N)C2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H28N6O/c28-19-22(27(34)29-21-12-13-21)25-26(31-24-11-5-4-10-23(24)30-25)33-17-15-32(16-18-33)14-6-9-20-7-2-1-3-8-20/h1-11,21-22H,12-18H2,(H,29,34)/p+1/b9-6+/t22-/m0/s1