dimethyl-[3-(octadecanoylamino)propyl]-octadecyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[3-(octadecanoylamino)propyl]-octadecyl-azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-[3-(octadecanoylamino)propyl]-octadecyl-ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-octadecyl-[3-(1-oxooctadecylamino)propyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[3-(octadecanoylamino)propyl]-octadecylazanium; 4-methylbenzenesulfonate Traditional Name: dimethyl-(3-stearamidopropyl)-stearyl-ammonium tosylate Formula: C48H92N2O4S MolecularWeight: 793.32008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C41H84N2O.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43(3,4)40-36-38-42-41(44)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-40H2,1-4H3;2-5H,1H3,(H,8,9,10)