(2S)-2-cyano-N-phenethyl-2-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanamide

Systemtic Name: (2S)-2-cyano-N-phenethyl-2-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2S)-2-[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-cyano-N-phenethyl-acetamide CAS Name: (2S)-2-cyano-N-phenethyl-2-[3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]acetamide IUPAC Name: (2S)-2-[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-cyano-N-phenethylacetamide Traditional Name: (2S)-2-[3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2-cyano-N-phenethyl-acetamide Formula: C30H31N6O+ MolecularWeight: 491.60674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3[C@@H](C#N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C30H30N6O/c31-21-25(30(37)32-16-15-23-9-3-1-4-10-23)28-29(34-27-14-8-7-13-26(27)33-28)36-19-17-35(18-20-36)22-24-11-5-2-6-12-24/h1-14,25H,15-20,22H2,(H,32,37)/p+1/t25-/m1/s1