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

Systemtic Name: 4-fluoranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide CAS Name: 4-fluoro-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzothiophene-2-carboxamide Formula: C20H22FN2O2S+ MolecularWeight: 373.464283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(C=CC=C3S2)F)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC3=C(C=CC=C3S2)F)C4=CC=CO4

InChI

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