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

Systemtic Name: 3-(4-azaniumyl-2-butoxy-phenyl)carbonyloxypropyl-diethyl-azanium dichloride Openeye Name: 3-(4-azaniumyl-2-butoxy-benzoyl)oxypropyl-diethyl-ammonium dichloride CAS Name: 3-[(4-ammonio-2-butoxyphenyl)-oxomethoxy]propyl-diethylammonium dichloride IUPAC Name: 3-(4-azaniumyl-2-butoxybenzoyl)oxypropyl-diethylazanium dichloride Traditional Name: 3-(4-ammonio-2-butoxy-benzoyl)oxypropyl-diethyl-ammonium dichloride Formula: C18H32Cl2N2O3 MolecularWeight: 395.36428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+](CC)CC.[Cl-].[Cl-]

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+](CC)CC.[Cl-].[Cl-]

InChI

InChI=1S/C18H30N2O3.2ClH/c1-4-7-12-22-17-14-15(19)9-10-16(17)18(21)23-13-8-11-20(5-2)6-3;;/h9-10,14H,4-8,11-13,19H2,1-3H3;2*1H