3-[(2R)-5-azanyl-2,3-dimethyl-4-methylsulfonyl-2H-pyrrol-1-ium-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R)-5-azanyl-2,3-dimethyl-4-methylsulfonyl-2H-pyrrol-1-ium-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-5-amino-2,3-dimethyl-4-methylsulfonyl-2H-pyrrol-1-ium-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-5-amino-2,3-dimethyl-4-methylsulfonyl-2H-pyrrol-1-ium-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-5-amino-2,3-dimethyl-4-methylsulfonyl-2H-pyrrol-1-ium-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-5-amino-4-mesyl-2,3-dimethyl-2H-pyrrol-1-ium-1-yl]propyl-dimethyl-ammonium Formula: C12H25N3O2S+2 MolecularWeight: 275.4108

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C(=[N+]1CCC[NH+](C)C)N)S(=O)(=O)C)C

Isomeric SMILES

C[C@@H]1C(=C(C(=[N+]1CCC[NH+](C)C)N)S(=O)(=O)C)C

InChI

InChI=1S/C12H23N3O2S/c1-9-10(2)15(8-6-7-14(3)4)12(13)11(9)18(5,16)17/h10,13H,6-8H2,1-5H3/p+2/t10-/m1/s1