[4-[[bis(2-hydroxyethyl)-octadecyl-azaniumyl]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecyl-azanium

Systemtic Name: [4-[[bis(2-hydroxyethyl)-octadecyl-azaniumyl]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecyl-azanium Openeye Name: [4-[[bis(2-hydroxyethyl)-octadecyl-ammonio]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecyl-ammonium CAS Name: [4-[[bis(2-hydroxyethyl)-octadecylammonio]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecylammonium IUPAC Name: [4-[[bis(2-hydroxyethyl)-octadecylazaniumyl]methyl]phenyl]methyl-bis(2-hydroxyethyl)-octadecylazanium Traditional Name: [4-[[bis(2-hydroxyethyl)-stearyl-ammonio]methyl]benzyl]-bis(2-hydroxyethyl)-stearyl-ammonium Formula: C52H102N2O4+2 MolecularWeight: 819.37728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=C(C=C1)C[N+](CCCCCCCCCCCCCCCCCC)(CCO)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=C(C=C1)C[N+](CCCCCCCCCCCCCCCCCC)(CCO)CCO

InChI

InChI=1S/C52H102N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-53(41-45-55,42-46-56)49-51-35-37-52(38-36-51)50-54(43-47-57,44-48-58)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38,55-58H,3-34,39-50H2,1-2H3/q+2