pentatetracontan-23-yl-(phenylmethyl)azanium chloride

Systemtic Name: pentatetracontan-23-yl-(phenylmethyl)azanium chloride Openeye Name: benzyl(1-docosyltricosyl)ammonium chloride CAS Name: pentatetracontan-23-yl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl(pentatetracontan-23-yl)azanium chloride Traditional Name: 1-behenyltricosyl(benzyl)ammonium chloride Formula: C52H100ClN MolecularWeight: 774.8101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC)[NH2+]CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC)[NH2+]CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C52H99N.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44-48-52(53-50-51-46-42-41-43-47-51)49-45-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h41-43,46-47,52-53H,3-40,44-45,48-50H2,1-2H3;1H