4-butyl-1-octadecyl-1,2-diphenyl-pyrazolidin-1-ium-3,5-dione chloride

Systemtic Name: 4-butyl-1-octadecyl-1,2-diphenyl-pyrazolidin-1-ium-3,5-dione chloride Openeye Name: 4-butyl-1-octadecyl-1,2-diphenyl-pyrazolidin-1-ium-3,5-dione chloride CAS Name: 4-butyl-1-octadecyl-1,2-diphenylpyrazolidin-1-ium-3,5-dione chloride IUPAC Name: 4-butyl-1-octadecyl-1,2-diphenylpyrazolidin-1-ium-3,5-dione chloride Traditional Name: 4-butyl-1,2-diphenyl-1-stearyl-pyrazolidin-1-ium-3,5-quinone chloride Formula: C37H57ClN2O2 MolecularWeight: 597.31368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(C(=O)C(C(=O)N1C2=CC=CC=C2)CCCC)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(C(=O)C(C(=O)N1C2=CC=CC=C2)CCCC)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C37H57N2O2.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-26-32-39(34-29-24-21-25-30-34)37(41)35(31-6-4-2)36(40)38(39)33-27-22-20-23-28-33;/h20-25,27-30,35H,3-19,26,31-32H2,1-2H3;1H/q+1;/p-1