4-methylbenzenesulfonate; (2-oxidanylidenepyrrolidin-1-yl)methylazanium

Systemtic Name: 4-methylbenzenesulfonate; (2-oxidanylidenepyrrolidin-1-yl)methylazanium Openeye Name: 4-methylbenzenesulfonate; (2-oxopyrrolidin-1-yl)methylammonium CAS Name: 4-methylbenzenesulfonate; (2-oxo-1-pyrrolidinyl)methylammonium IUPAC Name: 4-methylbenzenesulfonate; (2-oxopyrrolidin-1-yl)methylazanium Traditional Name: (2-ketopyrrolidino)methylammonium tosylate Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(=O)N(C1)C[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(=O)N(C1)C[NH3+]

InChI

InChI=1S/C7H8O3S.C5H10N2O/c1-6-2-4-7(5-3-6)11(8,9)10;6-4-7-3-1-2-5(7)8/h2-5H,1H3,(H,8,9,10);1-4,6H2