2-[4-(4-azaniumylbutyl)-2-methoxy-phenyl]carbonyloxyethyl-diethyl-azanium dichloride

Systemtic Name: 2-[4-(4-azaniumylbutyl)-2-methoxy-phenyl]carbonyloxyethyl-diethyl-azanium dichloride Openeye Name: 2-[4-(4-azaniumylbutyl)-2-methoxy-benzoyl]oxyethyl-diethyl-ammonium dichloride CAS Name: 2-[[4-(4-ammoniobutyl)-2-methoxyphenyl]-oxomethoxy]ethyl-diethylammonium dichloride IUPAC Name: 2-[4-(4-azaniumylbutyl)-2-methoxybenzoyl]oxyethyl-diethylazanium dichloride Traditional Name: 2-[4-(4-ammoniobutyl)-2-methoxy-benzoyl]oxyethyl-diethyl-ammonium dichloride Formula: C18H32Cl2N2O3 MolecularWeight: 395.36428

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=C(C=C(C=C1)CCCC[NH3+])OC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=C(C=C(C=C1)CCCC[NH3+])OC.[Cl-].[Cl-]

InChI

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