[3-[diethyl-[2-oxidanyl-3-[4-(phenylmethyl)phenoxy]propyl]azaniumyl]-3-oxidanylidene-propanoyl]-diethyl-[2-oxidanyl-3-[4-(phenylmethyl)phenoxy]propyl]azanium dichloride

Systemtic Name: [3-[diethyl-[2-oxidanyl-3-[4-(phenylmethyl)phenoxy]propyl]azaniumyl]-3-oxidanylidene-propanoyl]-diethyl-[2-oxidanyl-3-[4-(phenylmethyl)phenoxy]propyl]azanium dichloride Openeye Name: [3-(4-benzylphenoxy)-2-hydroxy-propyl]-[3-[[3-(4-benzylphenoxy)-2-hydroxy-propyl]-diethyl-ammonio]-3-oxo-propanoyl]-diethyl-ammonium dichloride CAS Name: [3-[diethyl-[2-hydroxy-3-[4-(phenylmethyl)phenoxy]propyl]ammonio]-1,3-dioxopropyl]-diethyl-[2-hydroxy-3-[4-(phenylmethyl)phenoxy]propyl]ammonium dichloride IUPAC Name: [3-(4-benzylphenoxy)-2-hydroxypropyl]-[3-[[3-(4-benzylphenoxy)-2-hydroxypropyl]-diethylazaniumyl]-3-oxopropanoyl]-diethylazanium dichloride Traditional Name: [3-(4-benzylphenoxy)-2-hydroxy-propyl]-[3-[[3-(4-benzylphenoxy)-2-hydroxy-propyl]-diethyl-ammonio]-3-keto-propanoyl]-diethyl-ammonium dichloride Formula: C43H56Cl2N2O6 MolecularWeight: 767.82054

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC(COC1=CC=C(C=C1)CC2=CC=CC=C2)O)C(=O)CC(=O)[N+](CC)(CC)CC(COC3=CC=C(C=C3)CC4=CC=CC=C4)O.[Cl-].[Cl-]

Isomeric SMILES

CC[N+](CC)(CC(COC1=CC=C(C=C1)CC2=CC=CC=C2)O)C(=O)CC(=O)[N+](CC)(CC)CC(COC3=CC=C(C=C3)CC4=CC=CC=C4)O.[Cl-].[Cl-]

InChI

InChI=1S/C43H56N2O6.2ClH/c1-5-44(6-2,30-38(46)32-50-40-23-19-36(20-24-40)27-34-15-11-9-12-16-34)42(48)29-43(49)45(7-3,8-4)31-39(47)33-51-41-25-21-37(22-26-41)28-35-17-13-10-14-18-35;;/h9-26,38-39,46-47H,5-8,27-33H2,1-4H3;2*1H/q+2;;/p-2