(phenylmethyl) (2S)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) (2S)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: benzyl (2S)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetic acid benzyl ester Formula: C23H24N5O2+ MolecularWeight: 402.46896

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2/c1-27-11-13-28(14-12-27)22-21(25-19-9-5-6-10-20(19)26-22)18(15-24)23(29)30-16-17-7-3-2-4-8-17/h2-10,18H,11-14,16H2,1H3/p+1/t18-/m1/s1