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

Systemtic Name: (3,4-dichlorophenyl)methyl-dimethyl-(1-oxidanylidene-1-propan-2-yloxy-dodecan-2-yl)azanium bromide Openeye Name: (3,4-dichlorophenyl)methyl-(1-isopropoxycarbonylundecyl)-dimethyl-ammonium bromide CAS Name: (3,4-dichlorophenyl)methyl-dimethyl-(1-oxo-1-propan-2-yloxydodecan-2-yl)ammonium bromide IUPAC Name: (3,4-dichlorophenyl)methyl-dimethyl-(1-oxo-1-propan-2-yloxydodecan-2-yl)azanium bromide Traditional Name: (3,4-dichlorobenzyl)-(1-isopropoxycarbonylundecyl)-dimethyl-ammonium bromide Formula: C24H40BrCl2NO2 MolecularWeight: 525.3899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40Cl2NO2.BrH/c1-6-7-8-9-10-11-12-13-14-23(24(28)29-19(2)3)27(4,5)18-20-15-16-21(25)22(26)17-20;/h15-17,19,23H,6-14,18H2,1-5H3;1H/q+1;/p-1