2,2,2-tris(fluoranyl)-N-[1-oxidanidyl-1-pentyl-2-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-[1-oxidanidyl-1-pentyl-2-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-(2-benzyl-1-oxido-1-pentyl-pyrrolidin-1-ium-3-yl)-2,2,2-trifluoro-acetamide CAS Name: 2,2,2-trifluoro-N-[1-oxido-1-pentyl-2-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(2-benzyl-1-oxido-1-pentylpyrrolidin-1-ium-3-yl)-2,2,2-trifluoroacetamide Traditional Name: N-(1-amyl-2-benzyl-1-oxido-pyrrolidin-1-ium-3-yl)-2,2,2-trifluoro-acetamide Formula: C18H25F3N2O2 MolecularWeight: 358.39851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(CCC(C1CC2=CC=CC=C2)NC(=O)C(F)(F)F)[O-]

Isomeric SMILES

CCCCC[N+]1(CCC(C1CC2=CC=CC=C2)NC(=O)C(F)(F)F)[O-]

InChI

InChI=1S/C18H25F3N2O2/c1-2-3-7-11-23(25)12-10-15(22-17(24)18(19,20)21)16(23)13-14-8-5-4-6-9-14/h4-6,8-9,15-16H,2-3,7,10-13H2,1H3,(H,22,24)