2-(3-azaniumyl-1-oxidanylidene-1-phenyl-butan-2-yl)oxyethyl-di(propan-2-yl)azanium dichloride

Systemtic Name: 2-(3-azaniumyl-1-oxidanylidene-1-phenyl-butan-2-yl)oxyethyl-di(propan-2-yl)azanium dichloride Openeye Name: 2-(2-azaniumyl-1-benzoyl-propoxy)ethyl-diisopropyl-ammonium dichloride CAS Name: 2-(3-ammonio-1-oxo-1-phenylbutan-2-yl)oxyethyl-di(propan-2-yl)ammonium dichloride IUPAC Name: 2-(3-azaniumyl-1-oxo-1-phenylbutan-2-yl)oxyethyl-di(propan-2-yl)azanium dichloride Traditional Name: 2-(2-ammonio-1-benzoyl-propoxy)ethyl-diisopropyl-ammonium dichloride Formula: C18H32Cl2N2O2 MolecularWeight: 379.36488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2.2ClH/c1-13(2)20(14(3)4)11-12-22-18(15(5)19)17(21)16-9-7-6-8-10-16;;/h6-10,13-15,18H,11-12,19H2,1-5H3;2*1H