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

Systemtic Name: (2S)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-N-pentyl-ethanamide Openeye Name: (2S)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-N-pentyl-acetamide CAS Name: (2S)-2-cyano-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]-N-pentylacetamide IUPAC Name: (2S)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-N-pentylacetamide Traditional Name: (2S)-N-amyl-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Formula: C21H29N6O+ MolecularWeight: 381.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O/c1-3-4-7-10-23-21(28)16(15-22)19-20(27-13-11-26(2)12-14-27)25-18-9-6-5-8-17(18)24-19/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3,(H,23,28)/p+1/t16-/m1/s1