[3-[4-[[3,5-bis(chloranyl)-4-[3-(dimethylazaniumyl)-2-oxidanyl-propoxy]phenyl]methyl]-2,6-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-azanium dichloride

Systemtic Name: [3-[4-[[3,5-bis(chloranyl)-4-[3-(dimethylazaniumyl)-2-oxidanyl-propoxy]phenyl]methyl]-2,6-bis(chloranyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-azanium dichloride Openeye Name: [3-[2,6-dichloro-4-[[3,5-dichloro-4-[3-(dimethylammonio)-2-hydroxy-propoxy]phenyl]methyl]phenoxy]-2-hydroxy-propyl]-dimethyl-ammonium dichloride CAS Name: [3-[2,6-dichloro-4-[[3,5-dichloro-4-[3-(dimethylammonio)-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl]-dimethylammonium dichloride IUPAC Name: [3-[2,6-dichloro-4-[[3,5-dichloro-4-[3-(dimethylazaniumyl)-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl]-dimethylazanium dichloride Traditional Name: [3-[2,6-dichloro-4-[3,5-dichloro-4-[3-(dimethylammonio)-2-hydroxy-propoxy]benzyl]phenoxy]-2-hydroxy-propyl]-dimethyl-ammonium dichloride Formula: C23H32Cl6N2O4 MolecularWeight: 613.22918

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(COC1=C(C=C(C=C1Cl)CC2=CC(=C(C(=C2)Cl)OCC(C[NH+](C)C)O)Cl)Cl)O.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CC(COC1=C(C=C(C=C1Cl)CC2=CC(=C(C(=C2)Cl)OCC(C[NH+](C)C)O)Cl)Cl)O.[Cl-].[Cl-]

InChI

InChI=1S/C23H30Cl4N2O4.2ClH/c1-28(2)10-16(30)12-32-22-18(24)6-14(7-19(22)25)5-15-8-20(26)23(21(27)9-15)33-13-17(31)11-29(3)4;;/h6-9,16-17,30-31H,5,10-13H2,1-4H3;2*1H