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

Systemtic Name: prop-2-enyl (2S)-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: allyl (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 prop-2-enyl ester IUPAC Name: prop-2-enyl (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 allyl ester Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2/c1-3-12-26-19(25)14(13-20)17-18(24-10-8-23(2)9-11-24)22-16-7-5-4-6-15(16)21-17/h3-7,14H,1,8-12H2,2H3/p+1/t14-/m1/s1