7-(2-hexylphenyl)tridecan-7-ylazanium chloride

Systemtic Name: 7-(2-hexylphenyl)tridecan-7-ylazanium chloride Openeye Name: [1-hexyl-1-(2-hexylphenyl)heptyl]ammonium chloride CAS Name: 7-(2-hexylphenyl)tridecan-7-ylammonium chloride IUPAC Name: 7-(2-hexylphenyl)tridecan-7-ylazanium chloride Traditional Name: [1-hexyl-1-(2-hexylphenyl)heptyl]ammonium chloride Formula: C25H46ClN MolecularWeight: 396.09244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C(CCCCCC)(CCCCCC)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCC1=CC=CC=C1C(CCCCCC)(CCCCCC)[NH3+].[Cl-]

InChI

InChI=1S/C25H45N.ClH/c1-4-7-10-13-18-23-19-14-15-20-24(23)25(26,21-16-11-8-5-2)22-17-12-9-6-3;/h14-15,19-20H,4-13,16-18,21-22,26H2,1-3H3;1H