ethyl 7-fluoranyl-3-methyl-6-(4-methylpiperazin-4-ium-1-yl)quinoxaline-2-carboxylate

Systemtic Name: ethyl 7-fluoranyl-3-methyl-6-(4-methylpiperazin-4-ium-1-yl)quinoxaline-2-carboxylate Openeye Name: ethyl 7-fluoro-3-methyl-6-(4-methylpiperazin-4-ium-1-yl)quinoxaline-2-carboxylate CAS Name: 7-fluoro-3-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-fluoro-3-methyl-6-(4-methylpiperazin-4-ium-1-yl)quinoxaline-2-carboxylate Traditional Name: 7-fluoro-3-methyl-6-(4-methylpiperazin-4-ium-1-yl)quinoxaline-2-carboxylic acid ethyl ester Formula: C17H22FN4O2+ MolecularWeight: 333.380583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC(=C(C=C2N=C1C)N3CC[NH+](CC3)C)F

Isomeric SMILES

CCOC(=O)C1=NC2=CC(=C(C=C2N=C1C)N3CC[NH+](CC3)C)F

InChI

InChI=1S/C17H21FN4O2/c1-4-24-17(23)16-11(2)19-14-10-15(12(18)9-13(14)20-16)22-7-5-21(3)6-8-22/h9-10H,4-8H2,1-3H3/p+1