(3aS,6R,6aR)-4-methylsulfonyl-1-[[2-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-4-yl]carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one chloride

Systemtic Name: (3aS,6R,6aR)-4-methylsulfonyl-1-[[2-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-4-yl]carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one chloride Openeye Name: (3aS,6R,6aR)-6-isopropyl-4-methylsulfonyl-1-[2-(piperidin-1-ium-1-ylmethyl)thiazole-4-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one chloride CAS Name: (3aS,6R,6aR)-4-methylsulfonyl-1-[oxo-[2-(1-piperidin-1-iumylmethyl)-4-thiazolyl]methyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one chloride IUPAC Name: (3aS,6R,6aR)-4-methylsulfonyl-1-[2-(piperidin-1-ium-1-ylmethyl)-1,3-thiazole-4-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one chloride Traditional Name: (3aS,6R,6aR)-6-isopropyl-4-mesyl-1-[2-(piperidin-1-ium-1-ylmethyl)thiazole-4-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one chloride Formula: C20H31ClN4O4S2 MolecularWeight: 491.06754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2C(CCN2C(=O)C3=CSC(=N3)C[NH+]4CCCCC4)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+]4CCCCC4)N(C1=O)S(=O)(=O)C.[Cl-]

InChI

InChI=1S/C20H30N4O4S2.ClH/c1-13(2)17-18-15(24(20(17)26)30(3,27)28)7-10-23(18)19(25)14-12-29-16(21-14)11-22-8-5-4-6-9-22;/h12-13,15,17-18H,4-11H2,1-3H3;1H/t15-,17+,18-;/m0./s1