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

Systemtic Name: (2R)-N-butyl-2-cyano-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanamide Openeye Name: (2R)-N-butyl-2-cyano-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide CAS Name: (2R)-N-butyl-2-cyano-2-[3-(4-ethyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetamide IUPAC Name: (2R)-N-butyl-2-cyano-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Traditional Name: (2R)-N-butyl-2-cyano-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Formula: C21H29N6O+ MolecularWeight: 381.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O/c1-3-5-10-23-21(28)16(15-22)19-20(27-13-11-26(4-2)12-14-27)25-18-9-7-6-8-17(18)24-19/h6-9,16H,3-5,10-14H2,1-2H3,(H,23,28)/p+1/t16-/m0/s1