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

Systemtic Name: cyclohexyl (2S)-2-cyano-2-[3-[4-[(E)-2-phenylethenyl]piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: cyclohexyl (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 cyclohexyl ester IUPAC Name: cyclohexyl (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 cyclohexyl ester Formula: C29H32N5O2+ MolecularWeight: 482.59668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C=CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2/c30-21-24(29(35)36-23-11-5-2-6-12-23)27-28(32-26-14-8-7-13-25(26)31-27)34-19-17-33(18-20-34)16-15-22-9-3-1-4-10-22/h1,3-4,7-10,13-16,23-24H,2,5-6,11-12,17-20H2/p+1/b16-15+/t24-/m1/s1