1-(4-fluoranyl-2-methyl-phenyl)piperazin-1-ium-1,3-dicarboxylic acid

Systemtic Name: 1-(4-fluoranyl-2-methyl-phenyl)piperazin-1-ium-1,3-dicarboxylic acid Openeye Name: 1-(4-fluoro-2-methyl-phenyl)piperazin-1-ium-1,3-dicarboxylic acid CAS Name: 1-(4-fluoro-2-methylphenyl)piperazin-1-ium-1,3-dicarboxylic acid IUPAC Name: 1-(4-fluoro-2-methylphenyl)piperazin-1-ium-1,3-dicarboxylic acid Traditional Name: 1-(4-fluoro-2-methyl-phenyl)piperazin-1-ium-1,3-dicarboxylic acid Formula: C13H16FN2O4+ MolecularWeight: 283.275543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)[N+]2(CCNC(C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)[N+]2(CCNC(C2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H15FN2O4/c1-8-6-9(14)2-3-11(8)16(13(19)20)5-4-15-10(7-16)12(17)18/h2-3,6,10,15H,4-5,7H2,1H3,(H-,17,18,19,20)/p+1