2-[3-[(2S)-2-(4-tert-butylphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[(2S)-2-(4-tert-butylphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[3-[(2S)-2-(4-tert-butylphenyl)-4-oxo-thiazolidin-3-yl]propanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[(2S)-2-(4-tert-butylphenyl)-4-oxo-3-thiazolidinyl]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-[(2S)-2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoylamino]ethyl-dimethylazanium Traditional Name: 2-[3-[(2S)-2-(4-tert-butylphenyl)-4-keto-thiazolidin-3-yl]propanoylamino]ethyl-dimethyl-ammonium Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2N(C(=O)CS2)CCC(=O)NCC[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2N(C(=O)CS2)CCC(=O)NCC[NH+](C)C

InChI

InChI=1S/C20H31N3O2S/c1-20(2,3)16-8-6-15(7-9-16)19-23(18(25)14-26-19)12-10-17(24)21-11-13-22(4)5/h6-9,19H,10-14H2,1-5H3,(H,21,24)/p+1/t19-/m0/s1