(2-hexadecoxy-2-oxidanylidene-ethyl)-[6-[(2-hexadecoxy-2-oxidanylidene-ethyl)-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dichloride

Systemtic Name: (2-hexadecoxy-2-oxidanylidene-ethyl)-[6-[(2-hexadecoxy-2-oxidanylidene-ethyl)-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dichloride Openeye Name: (2-hexadecoxy-2-oxo-ethyl)-[6-[(2-hexadecoxy-2-oxo-ethyl)-dimethyl-ammonio]hexyl]-dimethyl-ammonium dichloride CAS Name: (2-hexadecoxy-2-oxoethyl)-[6-[(2-hexadecoxy-2-oxoethyl)-dimethylammonio]hexyl]-dimethylammonium dichloride IUPAC Name: (2-hexadecoxy-2-oxoethyl)-[6-[(2-hexadecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium dichloride Traditional Name: (2-cetyloxy-2-keto-ethyl)-[6-[(2-cetyloxy-2-keto-ethyl)-dimethyl-ammonio]hexyl]-dimethyl-ammonium dichloride Formula: C46H94Cl2N2O4 MolecularWeight: 810.15556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H94N2O4.2ClH/c1-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41-51-45(49)43-47(3,4)39-35-31-32-36-40-48(5,6)44-46(50)52-42-38-34-30-28-26-24-22-20-18-16-14-12-10-8-2;;/h7-44H2,1-6H3;2*1H/q+2;;/p-2