2-(2-methylphenyl)octadecan-2-ylazanium chloride

Systemtic Name: 2-(2-methylphenyl)octadecan-2-ylazanium chloride Openeye Name: [1-methyl-1-(o-tolyl)heptadecyl]ammonium chloride CAS Name: 2-(2-methylphenyl)octadecan-2-ylammonium chloride IUPAC Name: 2-(2-methylphenyl)octadecan-2-ylazanium chloride Traditional Name: [1-methyl-1-(o-tolyl)heptadecyl]ammonium chloride Formula: C25H46ClN MolecularWeight: 396.09244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)(C1=CC=CC=C1C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)(C1=CC=CC=C1C)[NH3+].[Cl-]

InChI

InChI=1S/C25H45N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25(3,26)24-21-18-17-20-23(24)2;/h17-18,20-21H,4-16,19,22,26H2,1-3H3;1H