[4-[[(3aS,6R,6aR)-4-methylsulfonyl-5-oxidanylidene-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]carbonyl]-1,3-thiazol-2-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [4-[[(3aS,6R,6aR)-4-methylsulfonyl-5-oxidanylidene-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]carbonyl]-1,3-thiazol-2-yl]methyl-dimethyl-azanium chloride Openeye Name: [4-[(3aS,6R,6aR)-6-isopropyl-4-methylsulfonyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]thiazol-2-yl]methyl-dimethyl-ammonium chloride CAS Name: [4-[[(3aS,6R,6aR)-4-methylsulfonyl-5-oxo-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-oxomethyl]-2-thiazolyl]methyl-dimethylammonium chloride IUPAC Name: [4-[(3aS,6R,6aR)-4-methylsulfonyl-5-oxo-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]-1,3-thiazol-2-yl]methyl-dimethylazanium chloride Traditional Name: [4-[(3aS,6R,6aR)-6-isopropyl-5-keto-4-mesyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]thiazol-2-yl]methyl-dimethyl-ammonium chloride Formula: C17H27ClN4O4S2 MolecularWeight: 451.00368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2C(CCN2C(=O)C3=CSC(=N3)C[NH+](C)C)N(C1=O)S(=O)(=O)C.[Cl-]

Isomeric SMILES

CC(C)[C@@H]1[C@@H]2[C@H](CCN2C(=O)C3=CSC(=N3)C[NH+](C)C)N(C1=O)S(=O)(=O)C.[Cl-]

InChI

InChI=1S/C17H26N4O4S2.ClH/c1-10(2)14-15-12(21(17(14)23)27(5,24)25)6-7-20(15)16(22)11-9-26-13(18-11)8-19(3)4;/h9-10,12,14-15H,6-8H2,1-5H3;1H/t12-,14+,15-;/m0./s1