N-(5-azanyl-2-fluoranyl-phenyl)-4-thiomorpholin-4-ium-4-yl-butanamide

Systemtic Name: N-(5-azanyl-2-fluoranyl-phenyl)-4-thiomorpholin-4-ium-4-yl-butanamide Openeye Name: N-(5-amino-2-fluoro-phenyl)-4-thiomorpholin-4-ium-4-yl-butanamide CAS Name: N-(5-amino-2-fluorophenyl)-4-(4-thiomorpholin-4-iumyl)butanamide IUPAC Name: N-(5-amino-2-fluorophenyl)-4-thiomorpholin-4-ium-4-ylbutanamide Traditional Name: N-(5-amino-2-fluoro-phenyl)-4-thiomorpholin-4-ium-4-yl-butyramide Formula: C14H21FN3OS+ MolecularWeight: 298.399443

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CCCC(=O)NC2=C(C=CC(=C2)N)F

Isomeric SMILES

C1CSCC[NH+]1CCCC(=O)NC2=C(C=CC(=C2)N)F

InChI

InChI=1S/C14H20FN3OS/c15-12-4-3-11(16)10-13(12)17-14(19)2-1-5-18-6-8-20-9-7-18/h3-4,10H,1-2,5-9,16H2,(H,17,19)/p+1