(phenylmethyl) (2S)-2-cyano-2-[3-[4-[(E)-2-phenylethenyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) (2S)-2-cyano-2-[3-[4-[(E)-2-phenylethenyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: benzyl (2S)-2-cyano-2-[3-[4-[(E)-styryl]piperazin-4-ium-1-yl]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[4-[(E)-2-phenylethenyl]-1-piperazin-4-iumyl]-2-quinoxalinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-cyano-2-[3-[4-[(E)-2-phenylethenyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[4-[(E)-styryl]piperazin-4-ium-1-yl]quinoxalin-2-yl]acetic acid benzyl ester Formula: C30H28N5O2+ MolecularWeight: 490.57562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C=CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1/C=C/C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3[C@@H](C#N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H27N5O2/c31-21-25(30(36)37-22-24-11-5-2-6-12-24)28-29(33-27-14-8-7-13-26(27)32-28)35-19-17-34(18-20-35)16-15-23-9-3-1-4-10-23/h1-16,25H,17-20,22H2/p+1/b16-15+/t25-/m1/s1