4-methylbenzenesulfonate; [(3S)-3-methyl-2-oxidanylidene-pyrrolidin-3-yl]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(3S)-3-methyl-2-oxidanylidene-pyrrolidin-3-yl]azanium Openeye Name: 4-methylbenzenesulfonate; [(3S)-3-methyl-2-oxo-pyrrolidin-3-yl]ammonium CAS Name: 4-methylbenzenesulfonate; [(3S)-3-methyl-2-oxo-3-pyrrolidinyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; [(3S)-3-methyl-2-oxopyrrolidin-3-yl]azanium Traditional Name: [(3S)-2-keto-3-methyl-pyrrolidin-3-yl]ammonium tosylate Formula: C12H18N2O4S MolecularWeight: 286.34732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(CCNC1=O)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[C@@]1(CCNC1=O)[NH3+]

InChI

InChI=1S/C7H8O3S.C5H10N2O/c1-6-2-4-7(5-3-6)11(8,9)10;1-5(6)2-3-7-4(5)8/h2-5H,1H3,(H,8,9,10);2-3,6H2,1H3,(H,7,8)/t;5-/m.0/s1