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

Systemtic Name: cyclohexyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: cyclohexyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetate CAS Name: (2R)-2-cyano-2-[3-(4-ethyl-1-piperazin-4-iumyl)-2-quinoxalinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl (2R)-2-cyano-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetate Traditional Name: (2R)-2-cyano-2-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetic acid cyclohexyl ester Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2/c1-2-27-12-14-28(15-13-27)22-21(25-19-10-6-7-11-20(19)26-22)18(16-24)23(29)30-17-8-4-3-5-9-17/h6-7,10-11,17-18H,2-5,8-9,12-15H2,1H3/p+1/t18-/m0/s1