bis(3-dodecoxy-2-oxidanyl-propyl)-ethyl-[2-oxidanyl-2-(triethylazaniumyl)propyl]azanium dichloride

Systemtic Name: bis(3-dodecoxy-2-oxidanyl-propyl)-ethyl-[2-oxidanyl-2-(triethylazaniumyl)propyl]azanium dichloride Openeye Name: bis(3-dodecoxy-2-hydroxy-propyl)-ethyl-[2-hydroxy-2-(triethylammonio)propyl]ammonium dichloride CAS Name: bis(3-dodecoxy-2-hydroxypropyl)-ethyl-[2-hydroxy-2-(triethylammonio)propyl]ammonium dichloride IUPAC Name: bis(3-dodecoxy-2-hydroxypropyl)-ethyl-[2-hydroxy-2-(triethylazaniumyl)propyl]azanium dichloride Traditional Name: triethyl-[2-[ethyl-bis(2-hydroxy-3-lauryloxy-propyl)ammonio]-1-hydroxy-1-methyl-ethyl]ammonium dichloride Formula: C41H88Cl2N2O5 MolecularWeight: 760.05382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC(C[N+](CC)(CC(COCCCCCCCCCCCC)O)CC(C)([N+](CC)(CC)CC)O)O.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOCC(C[N+](CC)(CC(COCCCCCCCCCCCC)O)CC(C)([N+](CC)(CC)CC)O)O.[Cl-].[Cl-]

InChI

InChI=1S/C41H88N2O5.2ClH/c1-8-14-16-18-20-22-24-26-28-30-32-47-36-39(44)34-42(10-3,38-41(7,46)43(11-4,12-5)13-6)35-40(45)37-48-33-31-29-27-25-23-21-19-17-15-9-2;;/h39-40,44-46H,8-38H2,1-7H3;2*1H/q+2;;/p-2