2-methoxyethyl (2S)-2-cyano-2-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl (2S)-2-cyano-2-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: 2-methoxyethyl (2S)-2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2S)-2-cyano-2-[3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (2S)-2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2S)-2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-cyano-acetic acid 2-methoxyethyl ester Formula: C31H32N5O3+ MolecularWeight: 522.61748

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COCCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H31N5O3/c1-38-20-21-39-31(37)25(22-32)28-30(34-27-15-9-8-14-26(27)33-28)36-18-16-35(17-19-36)29(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25,29H,16-21H2,1H3/p+1/t25-/m1/s1