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

Systemtic Name: (2R)-2-cyano-N-cyclohexyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanamide Openeye Name: (2R)-2-cyano-N-cyclohexyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide CAS Name: (2R)-2-cyano-N-cyclohexyl-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetamide IUPAC Name: (2R)-2-cyano-N-cyclohexyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Traditional Name: (2R)-2-cyano-N-cyclohexyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O/c1-27-11-13-28(14-12-27)21-20(25-18-9-5-6-10-19(18)26-21)17(15-23)22(29)24-16-7-3-2-4-8-16/h5-6,9-10,16-17H,2-4,7-8,11-14H2,1H3,(H,24,29)/p+1/t17-/m0/s1