3-chloranyl-6-fluoranyl-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[(2R)-2-(1-pyrrolidin-1-iumyl)butyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[(2R)-2-pyrrolidin-1-ium-1-ylbutyl]benzothiophene-2-carboxamide Formula: C17H21ClFN2OS+ MolecularWeight: 355.877843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)[NH+]3CCCC3

Isomeric SMILES

CC[C@H](CNC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)[NH+]3CCCC3

InChI

InChI=1S/C17H20ClFN2OS/c1-2-12(21-7-3-4-8-21)10-20-17(22)16-15(18)13-6-5-11(19)9-14(13)23-16/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,20,22)/p+1/t12-/m1/s1