[3-fluoranyl-6-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate

Systemtic Name: [3-fluoranyl-6-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate Openeye Name: [3-fluoro-6-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate CAS Name: [3-fluoro-6-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonylimino]-1-cyclohexa-2,4-dienylidene]methanediolate IUPAC Name: [3-fluoro-6-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanediolate Traditional Name: [3-fluoro-6-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylimino-cyclohexa-2,4-dien-1-ylidene]methanediolate Formula: C13H16FN2O4S- MolecularWeight: 315.340543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1S(=O)(=O)N=C2C=CC(=CC2=C([O-])[O-])F

Isomeric SMILES

C[C@H]1CCCC[NH+]1S(=O)(=O)N=C2C=CC(=CC2=C([O-])[O-])F

InChI

InChI=1S/C13H17FN2O4S/c1-9-4-2-3-7-16(9)21(19,20)15-12-6-5-10(14)8-11(12)13(17)18/h5-6,8-9,17-18H,2-4,7H2,1H3/p-1/t9-/m0/s1