N-[4-dimethylsulfonio-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-butan-2-yl]carbamate iodide

Systemtic Name: N-[4-dimethylsulfonio-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-butan-2-yl]carbamate iodide Openeye Name: N-[3-dimethylsulfonio-1-[(4-fluorophenyl)methylcarbamoyl]propyl]carbamate iodide CAS Name: N-[4-dimethylsulfonio-1-[(4-fluorophenyl)methylamino]-1-oxobutan-2-yl]carbamate iodide IUPAC Name: N-[4-dimethylsulfonio-1-[(4-fluorophenyl)methylamino]-1-oxobutan-2-yl]carbamate iodide Traditional Name: N-[3-dimethylsulfonio-1-[(4-fluorobenzyl)carbamoyl]propyl]carbamate iodide Formula: C14H19FIN2O3S- MolecularWeight: 441.280133

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCC(C(=O)NCC1=CC=C(C=C1)F)NC(=O)[O-].[I-]

Isomeric SMILES

C[S+](C)CCC(C(=O)NCC1=CC=C(C=C1)F)NC(=O)[O-].[I-]

InChI

InChI=1S/C14H19FN2O3S.HI/c1-21(2)8-7-12(17-14(19)20)13(18)16-9-10-3-5-11(15)6-4-10;/h3-6,12,17H,7-9H2,1-2H3,(H-,16,18,19,20);1H/p-1