1-(3-fluorophenyl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-(3-fluorophenyl)sulfonyl-1,4-diazepan-4-ium CAS Name: 1-(3-fluorophenyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-(3-fluorophenyl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-(3-fluorophenyl)sulfonyl-1,4-diazepan-4-ium Formula: C11H16FN2O2S+ MolecularWeight: 259.320343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C11H15FN2O2S/c12-10-3-1-4-11(9-10)17(15,16)14-7-2-5-13-6-8-14/h1,3-4,9,13H,2,5-8H2/p+1