(3-fluorophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium

Systemtic Name: (3-fluorophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium Openeye Name: (3-fluorophenyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: (3-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]ammonium IUPAC Name: (3-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]azanium Traditional Name: (3-fluorobenzyl)-[(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl]-methyl-ammonium Formula: C16H20FN2OS+ MolecularWeight: 307.406203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)[NH+](C)CC2=CC(=CC=C2)F

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)[NH+](C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C16H19FN2OS/c1-12(16(20)18-10-15-7-4-8-21-15)19(2)11-13-5-3-6-14(17)9-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)/p+1/t12-/m0/s1