[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-(2-fluoranyl-5-methylsulfonyl-phenyl)azanium

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl]-(2-fluoranyl-5-methylsulfonyl-phenyl)azanium Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl]-(2-fluoro-5-methylsulfonyl-phenyl)ammonium CAS Name: [2-(1-azocanyl)-2-oxoethyl]-(2-fluoro-5-methylsulfonylphenyl)ammonium IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl]-(2-fluoro-5-methylsulfonylphenyl)azanium Traditional Name: [2-(azocan-1-yl)-2-keto-ethyl]-(2-fluoro-5-mesyl-phenyl)ammonium Formula: C16H24FN2O3S+ MolecularWeight: 343.436763

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)F)[NH2+]CC(=O)N2CCCCCCC2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)F)[NH2+]CC(=O)N2CCCCCCC2

InChI

InChI=1S/C16H23FN2O3S/c1-23(21,22)13-7-8-14(17)15(11-13)18-12-16(20)19-9-5-3-2-4-6-10-19/h7-8,11,18H,2-6,9-10,12H2,1H3/p+1