dibutyl-[(dibutylamino)-(2-oxidanylideneimidazolidin-1-yl)oxy-methylidene]azanium; 4-methylbenzenesulfonate

Systemtic Name: dibutyl-[(dibutylamino)-(2-oxidanylideneimidazolidin-1-yl)oxy-methylidene]azanium; 4-methylbenzenesulfonate Openeye Name: dibutyl-[(dibutylamino)-(2-oxoimidazolidin-1-yl)oxy-methylene]ammonium; 4-methylbenzenesulfonate CAS Name: dibutyl-[(dibutylamino)-[(2-oxo-1-imidazolidinyl)oxy]methylidene]ammonium; 4-methylbenzenesulfonate IUPAC Name: dibutyl-[(dibutylamino)-(2-oxoimidazolidin-1-yl)oxymethylidene]azanium; 4-methylbenzenesulfonate Traditional Name: dibutyl-[(dibutylamino)-(2-ketoimidazolidin-1-yl)oxy-methylene]ammonium tosylate Formula: C27H48N4O5S MolecularWeight: 540.75882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=[N+](CCCC)CCCC)ON1CCNC1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C(=[N+](CCCC)CCCC)ON1CCNC1=O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H40N4O2.C7H8O3S/c1-5-9-14-22(15-10-6-2)20(26-24-18-13-21-19(24)25)23(16-11-7-3)17-12-8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-18H2,1-4H3;2-5H,1H3,(H,8,9,10)