dimethyl-[1-(2-oxidanylidenepyrrolidin-1-yl)nonadecyl]azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[1-(2-oxidanylidenepyrrolidin-1-yl)nonadecyl]azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-[1-(2-oxopyrrolidin-1-yl)nonadecyl]ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[1-(2-oxo-1-pyrrolidinyl)nonadecyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[1-(2-oxopyrrolidin-1-yl)nonadecyl]azanium; 4-methylbenzenesulfonate Traditional Name: 1-(2-ketopyrrolidino)nonadecyl-dimethyl-ammonium tosylate Formula: C32H58N2O4S MolecularWeight: 566.87892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H50N2O.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26(2)3)27-23-20-22-25(27)28;1-6-2-4-7(5-3-6)11(8,9)10/h24H,4-23H2,1-3H3;2-5H,1H3,(H,8,9,10)