(2,4-dichlorophenyl)methyl-trioctyl-azanium chloride

Systemtic Name: (2,4-dichlorophenyl)methyl-trioctyl-azanium chloride Openeye Name: (2,4-dichlorophenyl)methyl-trioctyl-ammonium chloride CAS Name: (2,4-dichlorophenyl)methyl-trioctylammonium chloride IUPAC Name: (2,4-dichlorophenyl)methyl-trioctylazanium chloride Traditional Name: (2,4-dichlorobenzyl)-trioctyl-ammonium chloride Formula: C31H56Cl3N MolecularWeight: 549.14204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CC1=C(C=C(C=C1)Cl)Cl.[Cl-]

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CC1=C(C=C(C=C1)Cl)Cl.[Cl-]

InChI

InChI=1S/C31H56Cl2N.ClH/c1-4-7-10-13-16-19-24-34(25-20-17-14-11-8-5-2,26-21-18-15-12-9-6-3)28-29-22-23-30(32)27-31(29)33;/h22-23,27H,4-21,24-26,28H2,1-3H3;1H/q+1;/p-1