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

Systemtic Name: propan-2-yl (2R)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)OC(=O)[C@@H](C#N)C1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)C

InChI

InChI=1S/C19H23N5O2/c1-13(2)26-19(25)14(12-20)17-18(24-10-8-23(3)9-11-24)22-16-7-5-4-6-15(16)21-17/h4-7,13-14H,8-11H2,1-3H3/p+1/t14-/m0/s1