3-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide

Systemtic Name: 3-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide Openeye Name: 3-[(3R)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide CAS Name: 3-[(3R)-1-(1-benzothiophen-2-ylmethyl)-3-piperidin-1-iumyl]-N-(2-fluorophenyl)propanamide IUPAC Name: 3-[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propanamide Traditional Name: 3-[(3R)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]-N-(2-fluorophenyl)propionamide Formula: C23H26FN2OS+ MolecularWeight: 397.528743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3S2)CCC(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3S2)CCC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C23H25FN2OS/c24-20-8-2-3-9-21(20)25-23(27)12-11-17-6-5-13-26(15-17)16-19-14-18-7-1-4-10-22(18)28-19/h1-4,7-10,14,17H,5-6,11-13,15-16H2,(H,25,27)/p+1/t17-/m1/s1