4-methylbenzenesulfonate; 3-(2-oxidanylidenepyrrolidin-1-yl)propylazanium

Systemtic Name: 4-methylbenzenesulfonate; 3-(2-oxidanylidenepyrrolidin-1-yl)propylazanium Openeye Name: 4-methylbenzenesulfonate; 3-(2-oxopyrrolidin-1-yl)propylammonium CAS Name: 4-methylbenzenesulfonate; 3-(2-oxo-1-pyrrolidinyl)propylammonium IUPAC Name: 4-methylbenzenesulfonate; 3-(2-oxopyrrolidin-1-yl)propylazanium Traditional Name: 3-(2-ketopyrrolidino)propylammonium tosylate Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H14N2O.C7H8O3S/c8-4-2-6-9-5-1-3-7(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,8H2;2-5H,1H3,(H,8,9,10)