N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-fluoranyl-6-methylsulfonyl-aniline; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-fluoranyl-6-methylsulfonyl-aniline; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-fluoro-6-methylsulfonyl-aniline; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-fluoro-6-methylsulfonylaniline; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-fluoro-6-methylsulfonylaniline; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (2-fluoro-6-mesyl-phenyl)-(2-imidazolin-1-ium-2-ylmethyl)amine; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C15H18FN3O6S MolecularWeight: 387.383323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1NCC2=NCC[NH2+]2)F.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1NCC2=NCC[NH2+]2)F.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C11H14FN3O2S.C4H4O4/c1-18(16,17)9-4-2-3-8(12)11(9)15-7-10-13-5-6-14-10;5-3(6)1-2-4(7)8/h2-4,15H,5-7H2,1H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+