cyclohexyl (2R)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: cyclohexyl (2R)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: cyclohexyl (2R)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetate CAS Name: (2R)-2-cyano-2-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl (2R)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetate Traditional Name: (2R)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetic acid cyclohexyl ester Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H27N5O2/c1-26-11-13-27(14-12-26)21-20(24-18-9-5-6-10-19(18)25-21)17(15-23)22(28)29-16-7-3-2-4-8-16/h5-6,9-10,16-17H,2-4,7-8,11-14H2,1H3/p+1/t17-/m0/s1