(2R)-2-cyano-N-(3-methoxypropyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanamide

Systemtic Name: (2R)-2-cyano-N-(3-methoxypropyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanamide Openeye Name: (2R)-2-cyano-N-(3-methoxypropyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide CAS Name: (2R)-2-cyano-N-(3-methoxypropyl)-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetamide IUPAC Name: (2R)-2-cyano-N-(3-methoxypropyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Traditional Name: (2R)-2-cyano-N-(3-methoxypropyl)-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Formula: C20H27N6O2+ MolecularWeight: 383.46738

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCCOC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)NCCCOC

InChI

InChI=1S/C20H26N6O2/c1-25-9-11-26(12-10-25)19-18(23-16-6-3-4-7-17(16)24-19)15(14-21)20(27)22-8-5-13-28-2/h3-4,6-7,15H,5,8-13H2,1-2H3,(H,22,27)/p+1/t15-/m0/s1