(2R)-2-cyano-N-cyclohexyl-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanamide

Systemtic Name: (2R)-2-cyano-N-cyclohexyl-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanamide Openeye Name: (2R)-2-cyano-N-cyclohexyl-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide CAS Name: (2R)-2-cyano-N-cyclohexyl-2-[3-(4-ethyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetamide IUPAC Name: (2R)-2-cyano-N-cyclohexyl-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Traditional Name: (2R)-2-cyano-N-cyclohexyl-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NC4CCCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)NC4CCCCC4

InChI

InChI=1S/C23H30N6O/c1-2-28-12-14-29(15-13-28)22-21(26-19-10-6-7-11-20(19)27-22)18(16-24)23(30)25-17-8-4-3-5-9-17/h6-7,10-11,17-18H,2-5,8-9,12-15H2,1H3,(H,25,30)/p+1/t18-/m0/s1