(2S)-N-butyl-2-cyano-2-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanamide

Systemtic Name: (2S)-N-butyl-2-cyano-2-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2S)-2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-N-butyl-2-cyano-acetamide CAS Name: (2S)-N-butyl-2-cyano-2-[3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]acetamide IUPAC Name: (2S)-2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-N-butyl-2-cyanoacetamide Traditional Name: (2S)-2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-N-butyl-2-cyano-acetamide Formula: C32H35N6O+ MolecularWeight: 519.6599

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(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H34N6O/c1-2-3-18-34-32(39)26(23-33)29-31(36-28-17-11-10-16-27(28)35-29)38-21-19-37(20-22-38)30(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-17,26,30H,2-3,18-22H2,1H3,(H,34,39)/p+1/t26-/m1/s1