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(4-cyano-2-fluoranyl-phenyl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

(4-cyano-2-fluoranyl-phenyl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name:(4-cyano-2-fluoranyl-phenyl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium
Openeye Name:(4-cyano-2-fluoro-phenyl)methyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium
CAS Name:(4-cyano-2-fluorophenyl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium
IUPAC Name:(4-cyano-2-fluorophenyl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
Traditional Name:(4-cyano-2-fluoro-benzyl)-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium
Formula: C17H19FN3OS+
MolecularWeight: 332.415663
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=C(C=C1)C#N)F)CC(=O)NCC2=CC=CS2


Isomeric SMILES

CC[NH+](CC1=C(C=C(C=C1)C#N)F)CC(=O)NCC2=CC=CS2


InChI

InChI=1S/C17H18FN3OS/c1-2-21(11-14-6-5-13(9-19)8-16(14)18)12-17(22)20-10-15-4-3-7-23-15/h3-8H,2,10-12H2,1H3,(H,20,22)/p+1


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