docosan-2-yl-icosyl-bis(oxidanyl)azanium chloride

Systemtic Name: docosan-2-yl-icosyl-bis(oxidanyl)azanium chloride Openeye Name: dihydroxy-icosyl-(1-methylhenicosyl)ammonium chloride CAS Name: docosan-2-yl-eicosyl-dihydroxyammonium chloride IUPAC Name: docosan-2-yl-dihydroxy-icosylazanium chloride Traditional Name: arachyl-dihydroxy-(1-methylheneicosyl)ammonium chloride Formula: C42H88ClNO2 MolecularWeight: 674.60662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C)[N+](CCCCCCCCCCCCCCCCCCCC)(O)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C)[N+](CCCCCCCCCCCCCCCCCCCC)(O)O.[Cl-]

InChI

InChI=1S/C42H88NO2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42(3)43(44,45)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h42,44-45H,4-41H2,1-3H3;1H/q+1;/p-1