6-fluoranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 6-fluoranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 6-fluoro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide CAS Name: 6-fluoro-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 6-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 6-fluoro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide Formula: C20H22FN2O2S+ MolecularWeight: 373.464283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(S2)C=C(C=C3)F)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC3=C(S2)C=C(C=C3)F)C4=CC=CO4

InChI

InChI=1S/C20H21FN2O2S/c21-15-7-6-14-11-19(26-18(14)12-15)20(24)22-13-16(17-5-4-10-25-17)23-8-2-1-3-9-23/h4-7,10-12,16H,1-3,8-9,13H2,(H,22,24)/p+1/t16-/m0/s1