(2S)-2-cyano-2-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: (2S)-2-cyano-2-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-N-prop-2-enyl-ethanamide Openeye Name: (2S)-N-allyl-2-[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-cyano-acetamide CAS Name: (2S)-2-cyano-2-[3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]-N-prop-2-enylacetamide IUPAC Name: (2S)-2-[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-cyano-N-prop-2-enylacetamide Traditional Name: (2S)-N-allyl-2-[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-cyano-acetamide Formula: C25H27N6O+ MolecularWeight: 427.52148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N6O/c1-2-12-27-25(32)20(17-26)23-24(29-22-11-7-6-10-21(22)28-23)31-15-13-30(14-16-31)18-19-8-4-3-5-9-19/h2-11,20H,1,12-16,18H2,(H,27,32)/p+1/t20-/m1/s1