4-methylbenzenesulfonate; methyl-(2-methylnonadecan-2-yl)-(2-oxidanylidenepyrrolidin-1-yl)azanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-(2-methylnonadecan-2-yl)-(2-oxidanylidenepyrrolidin-1-yl)azanium Openeye Name: 1,1-dimethyloctadecyl-methyl-(2-oxopyrrolidin-1-yl)ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; methyl-(2-methylnonadecan-2-yl)-(2-oxo-1-pyrrolidinyl)ammonium IUPAC Name: 4-methylbenzenesulfonate; methyl-(2-methylnonadecan-2-yl)-(2-oxopyrrolidin-1-yl)azanium Traditional Name: 1,1-dimethyloctadecyl-(2-ketopyrrolidino)-methyl-ammonium tosylate Formula: C32H58N2O4S MolecularWeight: 566.87892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)(C)[NH+](C)N1CCCC1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)(C)[NH+](C)N1CCCC1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C25H50N2O.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(2,3)26(4)27-23-20-21-24(27)28;1-6-2-4-7(5-3-6)11(8,9)10/h5-23H2,1-4H3;2-5H,1H3,(H,8,9,10)