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

Systemtic Name: (2S)-2-cyano-N-cyclopropyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanamide Openeye Name: (2S)-2-cyano-N-cyclopropyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide CAS Name: (2S)-2-cyano-N-cyclopropyl-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetamide IUPAC Name: (2S)-2-cyano-N-cyclopropyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Traditional Name: (2S)-2-cyano-N-cyclopropyl-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide Formula: C19H23N6O+ MolecularWeight: 351.42552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NC4CC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)C(=O)NC4CC4

InChI

InChI=1S/C19H22N6O/c1-24-8-10-25(11-9-24)18-17(14(12-20)19(26)21-13-6-7-13)22-15-4-2-3-5-16(15)23-18/h2-5,13-14H,6-11H2,1H3,(H,21,26)/p+1/t14-/m1/s1