2-[[(2S,4S)-3-(4-fluorophenyl)carbonyl-2-propan-2-yl-1,3-thiazolidin-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S,4S)-3-(4-fluorophenyl)carbonyl-2-propan-2-yl-1,3-thiazolidin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S,4S)-3-(4-fluorobenzoyl)-2-isopropyl-thiazolidine-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(2S,4S)-3-[(4-fluorophenyl)-oxomethyl]-2-propan-2-yl-4-thiazolidinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S,4S)-3-(4-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S,4S)-3-(4-fluorobenzoyl)-2-isopropyl-thiazolidine-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C18H27FN3O2S+ MolecularWeight: 368.489283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1N(C(CS1)C(=O)NCC[NH+](C)C)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)[C@H]1N([C@H](CS1)C(=O)NCC[NH+](C)C)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H26FN3O2S/c1-12(2)18-22(17(24)13-5-7-14(19)8-6-13)15(11-25-18)16(23)20-9-10-21(3)4/h5-8,12,15,18H,9-11H2,1-4H3,(H,20,23)/p+1/t15-,18+/m1/s1