(2-hexadecoxy-2-oxidanylidene-ethyl)-bis[2-[(2-hexadecoxy-2-oxidanylidene-ethyl)-dimethyl-azaniumyl]ethyl]-methyl-azanium trichloride

Systemtic Name: (2-hexadecoxy-2-oxidanylidene-ethyl)-bis[2-[(2-hexadecoxy-2-oxidanylidene-ethyl)-dimethyl-azaniumyl]ethyl]-methyl-azanium trichloride Openeye Name: (2-hexadecoxy-2-oxo-ethyl)-bis[2-[(2-hexadecoxy-2-oxo-ethyl)-dimethyl-ammonio]ethyl]-methyl-ammonium trichloride CAS Name: (2-hexadecoxy-2-oxoethyl)-bis[2-[(2-hexadecoxy-2-oxoethyl)-dimethylammonio]ethyl]-methylammonium trichloride IUPAC Name: (2-hexadecoxy-2-oxoethyl)-bis[2-[(2-hexadecoxy-2-oxoethyl)-dimethylazaniumyl]ethyl]-methylazanium trichloride Traditional Name: (2-cetyloxy-2-keto-ethyl)-bis[2-[(2-cetyloxy-2-keto-ethyl)-dimethyl-ammonio]ethyl]-methyl-ammonium trichloride Formula: C63H128Cl3N3O6 MolecularWeight: 1130.06592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC[N+](C)(CC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCC.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CC[N+](C)(CC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCC.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C63H128N3O6.3ClH/c1-9-12-15-18-21-24-27-30-33-36-39-42-45-48-55-70-61(67)58-64(4,5)51-53-66(8,60-63(69)72-57-50-47-44-41-38-35-32-29-26-23-20-17-14-11-3)54-52-65(6,7)59-62(68)71-56-49-46-43-40-37-34-31-28-25-22-19-16-13-10-2;;;/h9-60H2,1-8H3;3*1H/q+3;;;/p-3