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

Systemtic Name: ethyl (2S)-2-cyano-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]ethanoate Openeye Name: ethyl (2S)-2-cyano-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-2-quinoxalinyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]acetic acid ethyl ester Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N(C)C3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C20H25N5O2/c1-4-27-20(26)15(13-21)18-19(23-17-8-6-5-7-16(17)22-18)25(3)14-9-11-24(2)12-10-14/h5-8,14-15H,4,9-12H2,1-3H3/p+1/t15-/m1/s1