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

Systemtic Name: (2R)-N-butyl-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanamide Openeye Name: (2R)-N-butyl-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide CAS Name: (2R)-N-butyl-2-cyano-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetamide IUPAC Name: (2R)-N-butyl-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Traditional Name: (2R)-N-butyl-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Formula: C20H27N6O+ MolecularWeight: 367.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O/c1-3-4-9-22-20(27)15(14-21)18-19(26-12-10-25(2)11-13-26)24-17-8-6-5-7-16(17)23-18/h5-8,15H,3-4,9-13H2,1-2H3,(H,22,27)/p+1/t15-/m0/s1