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

Systemtic Name: (2R)-2-cyano-N-hexyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanamide Openeye Name: (2R)-2-cyano-N-hexyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide CAS Name: (2R)-2-cyano-N-hexyl-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetamide IUPAC Name: (2R)-2-cyano-N-hexyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Traditional Name: (2R)-2-cyano-N-hexyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Formula: C22H31N6O+ MolecularWeight: 395.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)C

Isomeric SMILES

CCCCCCNC(=O)[C@@H](C#N)C1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)C

InChI

InChI=1S/C22H30N6O/c1-3-4-5-8-11-24-22(29)17(16-23)20-21(28-14-12-27(2)13-15-28)26-19-10-7-6-9-18(19)25-20/h6-7,9-10,17H,3-5,8,11-15H2,1-2H3,(H,24,29)/p+1/t17-/m0/s1