5-[(3-fluorophenyl)methylsulfanylmethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)furan-2-carboxamide

Systemtic Name: 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)furan-2-carboxamide Openeye Name: 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)furan-2-carboxamide CAS Name: 5-[[(3-fluorophenyl)methylthio]methyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]-2-furancarboxamide IUPAC Name: 5-[(3-fluorophenyl)methylsulfanylmethyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)furan-2-carboxamide Traditional Name: 5-[[(3-fluorobenzyl)thio]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)-2-furamide Formula: C20H26FN2O2S+ MolecularWeight: 377.496043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=CC=C(O2)CSCC3=CC(=CC=C3)F

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CC=C(O2)CSCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H25FN2O2S/c21-17-6-3-5-16(13-17)14-26-15-18-7-8-19(25-18)20(24)22-9-4-12-23-10-1-2-11-23/h3,5-8,13H,1-2,4,9-12,14-15H2,(H,22,24)/p+1