[(1R)-2-[[1-(4-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[1-(4-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[[1-[(4-fluorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[1-(4-fluorobenzoyl)isonipecotoyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C21H27FN3O2S+ MolecularWeight: 404.521383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C21H26FN3O2S/c1-24(2)18(19-4-3-13-28-19)14-23-20(26)15-9-11-25(12-10-15)21(27)16-5-7-17(22)8-6-16/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,23,26)/p+1/t18-/m1/s1