5-fluoranyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-fluoranyl-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-5-fluoro-benzothiophene-2-carboxamide CAS Name: 5-fluoro-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-5-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-5-fluoro-benzothiophene-2-carboxamide Formula: C20H20FN2OS+ MolecularWeight: 355.449003

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC3=C(S2)C=CC(=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=CC3=C(S2)C=CC(=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C20H19FN2OS/c21-16-6-7-18-15(10-16)11-19(25-18)20(24)22-17-8-9-23(13-17)12-14-4-2-1-3-5-14/h1-7,10-11,17H,8-9,12-13H2,(H,22,24)/p+1/t17-/m1/s1