(3,4-dichlorophenyl)methyl-(1-ethoxy-1-oxidanylidene-dodecan-2-yl)-dimethyl-azanium bromide

Systemtic Name: (3,4-dichlorophenyl)methyl-(1-ethoxy-1-oxidanylidene-dodecan-2-yl)-dimethyl-azanium bromide Openeye Name: (3,4-dichlorophenyl)methyl-(1-ethoxycarbonylundecyl)-dimethyl-ammonium bromide CAS Name: (3,4-dichlorophenyl)methyl-(1-ethoxy-1-oxododecan-2-yl)-dimethylammonium bromide IUPAC Name: (3,4-dichlorophenyl)methyl-(1-ethoxy-1-oxododecan-2-yl)-dimethylazanium bromide Traditional Name: 1-carbethoxyundecyl-(3,4-dichlorobenzyl)-dimethyl-ammonium bromide Formula: C23H38BrCl2NO2 MolecularWeight: 511.36332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)OCC)[N+](C)(C)CC1=CC(=C(C=C1)Cl)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCC(C(=O)OCC)[N+](C)(C)CC1=CC(=C(C=C1)Cl)Cl.[Br-]

InChI

InChI=1S/C23H38Cl2NO2.BrH/c1-5-7-8-9-10-11-12-13-14-22(23(27)28-6-2)26(3,4)18-19-15-16-20(24)21(25)17-19;/h15-17,22H,5-14,18H2,1-4H3;1H/q+1;/p-1