3-[3,4-bis(chloranyl)-2-dodecyl-phenyl]pentan-3-ylazanium chloride

Systemtic Name: 3-[3,4-bis(chloranyl)-2-dodecyl-phenyl]pentan-3-ylazanium chloride Openeye Name: [1-(3,4-dichloro-2-dodecyl-phenyl)-1-ethyl-propyl]ammonium chloride CAS Name: 3-(3,4-dichloro-2-dodecylphenyl)pentan-3-ylammonium chloride IUPAC Name: 3-(3,4-dichloro-2-dodecylphenyl)pentan-3-ylazanium chloride Traditional Name: [1-(3,4-dichloro-2-lauryl-phenyl)-1-ethyl-propyl]ammonium chloride Formula: C23H40Cl3N MolecularWeight: 436.9294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1Cl)Cl)C(CC)(CC)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1Cl)Cl)C(CC)(CC)[NH3+].[Cl-]

InChI

InChI=1S/C23H39Cl2N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-19-20(23(26,5-2)6-3)17-18-21(24)22(19)25;/h17-18H,4-16,26H2,1-3H3;1H