methyl (2S)-2-cyano-2-[3-(cyclopropylamino)quinoxalin-4-ium-2-yl]ethanoate

Systemtic Name: methyl (2S)-2-cyano-2-[3-(cyclopropylamino)quinoxalin-4-ium-2-yl]ethanoate Openeye Name: methyl (2S)-2-cyano-2-[3-(cyclopropylamino)quinoxalin-4-ium-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-(cyclopropylamino)-2-quinoxalin-4-iumyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-cyano-2-[3-(cyclopropylamino)quinoxalin-4-ium-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-(cyclopropylamino)quinoxalin-4-ium-2-yl]acetic acid methyl ester Formula: C15H15N4O2+ MolecularWeight: 283.3052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2[NH+]=C1NC3CC3

Isomeric SMILES

COC(=O)[C@H](C#N)C1=NC2=CC=CC=C2[NH+]=C1NC3CC3

InChI

InChI=1S/C15H14N4O2/c1-21-15(20)10(8-16)13-14(17-9-6-7-9)19-12-5-3-2-4-11(12)18-13/h2-5,9-10H,6-7H2,1H3,(H,17,19)/p+1/t10-/m1/s1