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

Systemtic Name: 2-[[(2R,4S)-2-cyclohexyl-3-(4-methylphenyl)carbonyl-1,3-thiazolidin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2R,4S)-2-cyclohexyl-3-(4-methylbenzoyl)thiazolidine-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(2R,4S)-2-cyclohexyl-3-[(4-methylphenyl)-oxomethyl]-4-thiazolidinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2R,4S)-2-cyclohexyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2R,4S)-2-cyclohexyl-3-p-toluoyl-thiazolidine-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(CSC2C3CCCCC3)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2[C@H](CS[C@@H]2C3CCCCC3)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C22H33N3O2S/c1-16-9-11-17(12-10-16)21(27)25-19(20(26)23-13-14-24(2)3)15-28-22(25)18-7-5-4-6-8-18/h9-12,18-19,22H,4-8,13-15H2,1-3H3,(H,23,26)/p+1/t19-,22-/m1/s1