9-(2-octylphenyl)heptadecan-9-ylazanium chloride

Systemtic Name: 9-(2-octylphenyl)heptadecan-9-ylazanium chloride Openeye Name: [1-octyl-1-(2-octylphenyl)nonyl]ammonium chloride CAS Name: 9-(2-octylphenyl)heptadecan-9-ylammonium chloride IUPAC Name: 9-(2-octylphenyl)heptadecan-9-ylazanium chloride Traditional Name: [1-octyl-1-(2-octylphenyl)nonyl]ammonium chloride Formula: C31H58ClN MolecularWeight: 480.25192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C(CCCCCCCC)(CCCCCCCC)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C(CCCCCCCC)(CCCCCCCC)[NH3+].[Cl-]

InChI

InChI=1S/C31H57N.ClH/c1-4-7-10-13-16-19-24-29-25-20-21-26-30(29)31(32,27-22-17-14-11-8-5-2)28-23-18-15-12-9-6-3;/h20-21,25-26H,4-19,22-24,27-28,32H2,1-3H3;1H