3-[2-[3-(dimethylazaniumyl)propoxycarbonyl]phenyl]carbonyloxypropyl-dimethyl-azanium dichloride

Systemtic Name: 3-[2-[3-(dimethylazaniumyl)propoxycarbonyl]phenyl]carbonyloxypropyl-dimethyl-azanium dichloride Openeye Name: 3-[2-[3-(dimethylammonio)propoxycarbonyl]benzoyl]oxypropyl-dimethyl-ammonium dichloride CAS Name: 3-[[2-[3-(dimethylammonio)propoxy-oxomethyl]phenyl]-oxomethoxy]propyl-dimethylammonium dichloride IUPAC Name: 3-[2-[3-(dimethylazaniumyl)propoxycarbonyl]benzoyl]oxypropyl-dimethylazanium dichloride Traditional Name: 3-[2-[3-(dimethylammonio)propoxycarbonyl]benzoyl]oxypropyl-dimethyl-ammonium dichloride Formula: C18H30Cl2N2O4 MolecularWeight: 409.3478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCC[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCC[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C18H28N2O4.2ClH/c1-19(2)11-7-13-23-17(21)15-9-5-6-10-16(15)18(22)24-14-8-12-20(3)4;;/h5-6,9-10H,7-8,11-14H2,1-4H3;2*1H