2,6-bis(fluoranyl)-N-[(1R,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 2,6-bis(fluoranyl)-N-[(1R,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: 2,6-difluoro-N-[(1S,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 2,6-difluoro-N-[(1R,2S)-1-(1-pyrrolidin-1-iumyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 2,6-difluoro-N-[(1R,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: 2,6-difluoro-N-[(1S,2R)-1-methyl-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C18H21F2N2OS+ MolecularWeight: 351.433946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCCC2)NC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C[C@@H]([C@H](C1=CC=CS1)[NH+]2CCCC2)NC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C18H20F2N2OS/c1-12(21-18(23)16-13(19)6-4-7-14(16)20)17(15-8-5-11-24-15)22-9-2-3-10-22/h4-8,11-12,17H,2-3,9-10H2,1H3,(H,21,23)/p+1/t12-,17+/m0/s1