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

Systemtic Name: (2S)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-N-prop-2-enyl-ethanamide Openeye Name: (2S)-N-allyl-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide CAS Name: (2S)-2-cyano-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]-N-prop-2-enylacetamide IUPAC Name: (2S)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-N-prop-2-enylacetamide Traditional Name: (2S)-N-allyl-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Formula: C19H23N6O+ MolecularWeight: 351.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC=C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)C(=O)NCC=C

InChI

InChI=1S/C19H22N6O/c1-3-8-21-19(26)14(13-20)17-18(25-11-9-24(2)10-12-25)23-16-7-5-4-6-15(16)22-17/h3-7,14H,1,8-12H2,2H3,(H,21,26)/p+1/t14-/m1/s1