trimethyl-[1-[methyl-bis(3-octoxy-2-oxidanyl-propyl)azaniumyl]-2-oxidanyl-propan-2-yl]azanium dichloride

Systemtic Name: trimethyl-[1-[methyl-bis(3-octoxy-2-oxidanyl-propyl)azaniumyl]-2-oxidanyl-propan-2-yl]azanium dichloride Openeye Name: bis(2-hydroxy-3-octoxy-propyl)-[2-hydroxy-2-(trimethylammonio)propyl]-methyl-ammonium dichloride CAS Name: bis(2-hydroxy-3-octoxypropyl)-[2-hydroxy-2-(trimethylammonio)propyl]-methylammonium dichloride IUPAC Name: bis(2-hydroxy-3-octoxypropyl)-[2-hydroxy-2-(trimethylazaniumyl)propyl]-methylazanium dichloride Traditional Name: bis(2-hydroxy-3-octoxy-propyl)-[2-hydroxy-2-(trimethylammonio)propyl]-methyl-ammonium dichloride Formula: C29H64Cl2N2O5 MolecularWeight: 591.73486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(C[N+](C)(CC(COCCCCCCCC)O)CC(C)([N+](C)(C)C)O)O.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCOCC(C[N+](C)(CC(COCCCCCCCC)O)CC(C)([N+](C)(C)C)O)O.[Cl-].[Cl-]

InChI

InChI=1S/C29H64N2O5.2ClH/c1-8-10-12-14-16-18-20-35-24-27(32)22-31(7,26-29(3,34)30(4,5)6)23-28(33)25-36-21-19-17-15-13-11-9-2;;/h27-28,32-34H,8-26H2,1-7H3;2*1H/q+2;;/p-2