methyl (2S)-2-cyano-2-[3-[[(1S)-1-thiophen-2-ylethyl]amino]quinoxalin-4-ium-2-yl]ethanoate

Systemtic Name: methyl (2S)-2-cyano-2-[3-[[(1S)-1-thiophen-2-ylethyl]amino]quinoxalin-4-ium-2-yl]ethanoate Openeye Name: methyl (2S)-2-cyano-2-[3-[[(1S)-1-(2-thienyl)ethyl]amino]quinoxalin-4-ium-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[[(1S)-1-thiophen-2-ylethyl]amino]-2-quinoxalin-4-iumyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-cyano-2-[3-[[(1S)-1-thiophen-2-ylethyl]amino]quinoxalin-4-ium-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[[(1S)-1-(2-thienyl)ethyl]amino]quinoxalin-4-ium-2-yl]acetic acid methyl ester Formula: C18H17N4O2S+ MolecularWeight: 353.41818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC2=[NH+]C3=CC=CC=C3N=C2C(C#N)C(=O)OC

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC2=[NH+]C3=CC=CC=C3N=C2[C@@H](C#N)C(=O)OC

InChI

InChI=1S/C18H16N4O2S/c1-11(15-8-5-9-25-15)20-17-16(12(10-19)18(23)24-2)21-13-6-3-4-7-14(13)22-17/h3-9,11-12H,1-2H3,(H,20,22)/p+1/t11-,12+/m0/s1