dimethyl-(4-oxidanylidene-3-pentadecyl-henicosyl)-(2-oxidanylpropyl)azanium chloride

Systemtic Name: dimethyl-(4-oxidanylidene-3-pentadecyl-henicosyl)-(2-oxidanylpropyl)azanium chloride Openeye Name: 2-hydroxypropyl-dimethyl-(4-oxo-3-pentadecyl-henicosyl)ammonium chloride CAS Name: 2-hydroxypropyl-dimethyl-(4-oxo-3-pentadecylheneicosyl)ammonium chloride IUPAC Name: 2-hydroxypropyl-dimethyl-(4-oxo-3-pentadecylhenicosyl)azanium chloride Traditional Name: 2-hydroxypropyl-(4-keto-3-pentadecyl-heneicosyl)-dimethyl-ammonium chloride Formula: C41H84ClNO2 MolecularWeight: 658.56416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCC)CC[N+](C)(C)CC(C)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCC)CC[N+](C)(C)CC(C)O.[Cl-]

InChI

InChI=1S/C41H84NO2.ClH/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(44)40(36-37-42(4,5)38-39(3)43)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2;/h39-40,43H,6-38H2,1-5H3;1H/q+1;/p-1