3-[3-(3-azaniumylpropoxy)-5-prop-2-enoxycarbonyl-phenoxy]propylazanium dichloride

Systemtic Name: 3-[3-(3-azaniumylpropoxy)-5-prop-2-enoxycarbonyl-phenoxy]propylazanium dichloride Openeye Name: 3-[3-allyloxycarbonyl-5-(3-azaniumylpropoxy)phenoxy]propylammonium dichloride CAS Name: 3-[3-(3-ammoniopropoxy)-5-[oxo(prop-2-enoxy)methyl]phenoxy]propylammonium dichloride IUPAC Name: 3-[3-(3-azaniumylpropoxy)-5-prop-2-enoxycarbonylphenoxy]propylazanium dichloride Traditional Name: 3-[3-allyloxycarbonyl-5-(3-ammoniopropoxy)phenoxy]propylammonium dichloride Formula: C16H26Cl2N2O4 MolecularWeight: 381.29464

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=CC(=CC(=C1)OCCC[NH3+])OCCC[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C=CCOC(=O)C1=CC(=CC(=C1)OCCC[NH3+])OCCC[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C16H24N2O4.2ClH/c1-2-7-22-16(19)13-10-14(20-8-3-5-17)12-15(11-13)21-9-4-6-18;;/h2,10-12H,1,3-9,17-18H2;2*1H