2-(3-dodecyl-2-methyl-phenyl)butan-2-ylazanium chloride

Systemtic Name: 2-(3-dodecyl-2-methyl-phenyl)butan-2-ylazanium chloride Openeye Name: [1-(3-dodecyl-2-methyl-phenyl)-1-methyl-propyl]ammonium chloride CAS Name: 2-(3-dodecyl-2-methylphenyl)butan-2-ylammonium chloride IUPAC Name: 2-(3-dodecyl-2-methylphenyl)butan-2-ylazanium chloride Traditional Name: [1-(3-lauryl-2-methyl-phenyl)-1-methyl-propyl]ammonium chloride Formula: C23H42ClN MolecularWeight: 368.03928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=CC=C1)C(C)(CC)[NH3+])C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=CC=C1)C(C)(CC)[NH3+])C.[Cl-]

InChI

InChI=1S/C23H41N.ClH/c1-5-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(20(21)3)23(4,24)6-2;/h16,18-19H,5-15,17,24H2,1-4H3;1H