3-(4-azaniumyl-2-propoxy-phenyl)carbonyloxypropyl-diethyl-azanium dichloride

Systemtic Name: 3-(4-azaniumyl-2-propoxy-phenyl)carbonyloxypropyl-diethyl-azanium dichloride Openeye Name: 3-(4-azaniumyl-2-propoxy-benzoyl)oxypropyl-diethyl-ammonium dichloride CAS Name: 3-[(4-ammonio-2-propoxyphenyl)-oxomethoxy]propyl-diethylammonium dichloride IUPAC Name: 3-(4-azaniumyl-2-propoxybenzoyl)oxypropyl-diethylazanium dichloride Traditional Name: 3-(4-ammonio-2-propoxy-benzoyl)oxypropyl-diethyl-ammonium dichloride Formula: C17H30Cl2N2O3 MolecularWeight: 381.3377

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+](CC)CC.[Cl-].[Cl-]

Isomeric SMILES

CCCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+](CC)CC.[Cl-].[Cl-]

InChI

InChI=1S/C17H28N2O3.2ClH/c1-4-11-21-16-13-14(18)8-9-15(16)17(20)22-12-7-10-19(5-2)6-3;;/h8-9,13H,4-7,10-12,18H2,1-3H3;2*1H