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

Systemtic Name: 2-[[(2S,4S)-2-cyclohexyl-3-(4-fluorophenyl)carbonyl-1,3-thiazolidin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S,4S)-2-cyclohexyl-3-(4-fluorobenzoyl)thiazolidine-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(2S,4S)-2-cyclohexyl-3-[(4-fluorophenyl)-oxomethyl]-4-thiazolidinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S,4S)-2-cyclohexyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S,4S)-2-cyclohexyl-3-(4-fluorobenzoyl)thiazolidine-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H31FN3O2S+ MolecularWeight: 408.553143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1CSC(N1C(=O)C2=CC=C(C=C2)F)C3CCCCC3

Isomeric SMILES

C[NH+](C)CCNC(=O)[C@H]1CS[C@H](N1C(=O)C2=CC=C(C=C2)F)C3CCCCC3

InChI

InChI=1S/C21H30FN3O2S/c1-24(2)13-12-23-19(26)18-14-28-21(16-6-4-3-5-7-16)25(18)20(27)15-8-10-17(22)11-9-15/h8-11,16,18,21H,3-7,12-14H2,1-2H3,(H,23,26)/p+1/t18-,21+/m1/s1