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

Systemtic Name: trimethyl-[1-[methyl-bis(2-oxidanyltetradecyl)azaniumyl]-2-oxidanyl-propan-2-yl]azanium dichloride Openeye Name: bis(2-hydroxytetradecyl)-[2-hydroxy-2-(trimethylammonio)propyl]-methyl-ammonium dichloride CAS Name: bis(2-hydroxytetradecyl)-[2-hydroxy-2-(trimethylammonio)propyl]-methylammonium dichloride IUPAC Name: bis(2-hydroxytetradecyl)-[2-hydroxy-2-(trimethylazaniumyl)propyl]-methylazanium dichloride Traditional Name: bis(2-hydroxytetradecyl)-[2-hydroxy-2-(trimethylammonio)propyl]-methyl-ammonium dichloride Formula: C35H76Cl2N2O3 MolecularWeight: 643.89554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C[N+](C)(CC(CCCCCCCCCCCC)O)CC(C)([N+](C)(C)C)O)O.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(C[N+](C)(CC(CCCCCCCCCCCC)O)CC(C)([N+](C)(C)C)O)O.[Cl-].[Cl-]

InChI

InChI=1S/C35H76N2O3.2ClH/c1-8-10-12-14-16-18-20-22-24-26-28-33(38)30-37(7,32-35(3,40)36(4,5)6)31-34(39)29-27-25-23-21-19-17-15-13-11-9-2;;/h33-34,38-40H,8-32H2,1-7H3;2*1H/q+2;;/p-2