2-[2,3-bis(chloranyl)phenyl]propan-2-yl-dodecyl-tetradecyl-azanium chloride

Systemtic Name: 2-[2,3-bis(chloranyl)phenyl]propan-2-yl-dodecyl-tetradecyl-azanium chloride Openeye Name: [1-(2,3-dichlorophenyl)-1-methyl-ethyl]-dodecyl-tetradecyl-ammonium chloride CAS Name: 2-(2,3-dichlorophenyl)propan-2-yl-dodecyl-tetradecylammonium chloride IUPAC Name: 2-(2,3-dichlorophenyl)propan-2-yl-dodecyl-tetradecylazanium chloride Traditional Name: [1-(2,3-dichlorophenyl)-1-methyl-ethyl]-lauryl-myristyl-ammonium chloride Formula: C35H64Cl3N MolecularWeight: 605.24836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[NH+](CCCCCCCCCCCC)C(C)(C)C1=C(C(=CC=C1)Cl)Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC[NH+](CCCCCCCCCCCC)C(C)(C)C1=C(C(=CC=C1)Cl)Cl.[Cl-]

InChI

InChI=1S/C35H63Cl2N.ClH/c1-5-7-9-11-13-15-17-18-20-22-24-26-31-38(30-25-23-21-19-16-14-12-10-8-6-2)35(3,4)32-28-27-29-33(36)34(32)37;/h27-29H,5-26,30-31H2,1-4H3;1H