2-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyloxy]ethyl-trimethyl-azanium bromide

Systemtic Name: 2-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyloxy]ethyl-trimethyl-azanium bromide Openeye Name: 2-[6-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]hexanoyloxy]ethyl-trimethyl-ammonium bromide CAS Name: 2-[6-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-1-oxohexoxy]ethyl-trimethylammonium bromide IUPAC Name: 2-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyloxy]ethyl-trimethylazanium bromide Traditional Name: trimethyl-[2-[6-(naphthionylamino)hexanoyloxy]ethyl]ammonium bromide Formula: C23H36BrN3O4S MolecularWeight: 530.51864

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCC(=O)OCC[N+](C)(C)C.[Br-]

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCC(=O)OCC[N+](C)(C)C.[Br-]

InChI

InChI=1S/C23H36N3O4S.BrH/c1-25(2)21-13-9-12-20-19(21)11-10-14-22(20)31(28,29)24-16-8-6-7-15-23(27)30-18-17-26(3,4)5;/h9-14,24H,6-8,15-18H2,1-5H3;1H/q+1;/p-1