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

Systemtic Name: (3aR,6S,6aS)-4-methylsulfonyl-6-propan-2-yl-1-[[2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one chloride Openeye Name: (3aR,6S,6aS)-6-isopropyl-4-methylsulfonyl-1-[2-(pyrrolidin-1-ium-1-ylmethyl)oxazole-4-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one chloride CAS Name: (3aR,6S,6aS)-4-methylsulfonyl-1-[oxo-[2-(1-pyrrolidin-1-iumylmethyl)-4-oxazolyl]methyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one chloride IUPAC Name: (3aR,6S,6aS)-4-methylsulfonyl-6-propan-2-yl-1-[2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-oxazole-4-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one chloride Traditional Name: (3aR,6S,6aS)-6-isopropyl-4-mesyl-1-[2-(pyrrolidin-1-ium-1-ylmethyl)oxazole-4-carbonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one chloride Formula: C19H29ClN4O5S MolecularWeight: 460.97536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2C(CCN2C(=O)C3=COC(=N3)C[NH+]4CCCC4)N(C1=O)S(=O)(=O)C.[Cl-]

Isomeric SMILES

CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)C3=COC(=N3)C[NH+]4CCCC4)N(C1=O)S(=O)(=O)C.[Cl-]

InChI

InChI=1S/C19H28N4O5S.ClH/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21;/h11-12,14,16-17H,4-10H2,1-3H3;1H/t14-,16+,17-;/m1./s1