(2-bromophenyl)methyl-ethyl-dimethyl-azanium; 5,10-diethyl-7,8-bis(2-ethylhexoxycarbonyl)tetradecane-7-sulfonate

Systemtic Name: (2-bromophenyl)methyl-ethyl-dimethyl-azanium; 5,10-diethyl-7,8-bis(2-ethylhexoxycarbonyl)tetradecane-7-sulfonate Openeye Name: (2-bromophenyl)methyl-ethyl-dimethyl-ammonium; 5,10-diethyl-7,8-bis(2-ethylhexoxycarbonyl)tetradecane-7-sulfonate CAS Name: (2-bromophenyl)methyl-ethyl-dimethylammonium; 5,10-diethyl-7,8-bis[2-ethylhexoxy(oxo)methyl]-7-tetradecanesulfonate IUPAC Name: (2-bromophenyl)methyl-ethyl-dimethylazanium; 5,10-diethyl-7,8-bis(2-ethylhexoxycarbonyl)tetradecane-7-sulfonate Traditional Name: (2-bromobenzyl)-ethyl-dimethyl-ammonium; 5,10-diethyl-7,8-bis(2-ethylhexoxycarbonyl)tetradecane-7-sulfonate Formula: C47H86BrNO7S MolecularWeight: 889.15724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(=O)OCC(CC)CCCC)C(CC(CC)CCCC)(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CC[N+](C)(C)CC1=CC=CC=C1Br

Isomeric SMILES

CCCCC(CC)CC(C(=O)OCC(CC)CCCC)C(CC(CC)CCCC)(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CC[N+](C)(C)CC1=CC=CC=C1Br

InChI

InChI=1S/C36H70O7S.C11H17BrN/c1-9-17-21-29(13-5)25-33(34(37)42-27-31(15-7)23-19-11-3)36(44(39,40)41,26-30(14-6)22-18-10-2)35(38)43-28-32(16-8)24-20-12-4;1-4-13(2,3)9-10-7-5-6-8-11(10)12/h29-33H,9-28H2,1-8H3,(H,39,40,41);5-8H,4,9H2,1-3H3/q;+1/p-1