methyl (2S)-2-cyano-2-[3-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl (2S)-2-cyano-2-[3-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]quinoxalin-2-yl]ethanoate Openeye Name: methyl (2S)-2-cyano-2-[3-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-cyano-2-[3-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]amino]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]quinoxalin-2-yl]acetic acid methyl ester Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C24H25N5O2/c1-31-24(30)18(15-25)22-23(28-20-12-6-5-11-19(20)27-22)26-16-21(29-13-7-8-14-29)17-9-3-2-4-10-17/h2-6,9-12,18,21H,7-8,13-14,16H2,1H3,(H,26,28)/p+1/t18-,21+/m1/s1