1-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-[(2-fluorophenyl)methylthio]ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2-[(2-fluorobenzyl)thio]ethylamino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H25FN3O2S+ MolecularWeight: 354.462703

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NCCSCC2=CC=CC=C2F

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NCCSCC2=CC=CC=C2F

InChI

InChI=1S/C17H24FN3O2S/c18-15-4-2-1-3-14(15)12-24-10-7-20-16(22)11-21-8-5-13(6-9-21)17(19)23/h1-4,13H,5-12H2,(H2,19,23)(H,20,22)/p+1