(2-azaniumyl-3-oxidanyl-3-oxidanylidene-propyl)-methyl-phenethyl-azanium dichloride

Systemtic Name: (2-azaniumyl-3-oxidanyl-3-oxidanylidene-propyl)-methyl-phenethyl-azanium dichloride Openeye Name: (2-azaniumyl-3-hydroxy-3-oxo-propyl)-methyl-phenethyl-ammonium dichloride CAS Name: (2-ammonio-3-hydroxy-3-oxopropyl)-methyl-phenethylammonium dichloride IUPAC Name: (2-azaniumyl-3-hydroxy-3-oxopropyl)-methyl-phenethylazanium dichloride Traditional Name: (2-ammonio-3-hydroxy-3-keto-propyl)-methyl-phenethyl-ammonium dichloride Formula: C12H20Cl2N2O2 MolecularWeight: 295.2054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC(C(=O)O)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC(C(=O)O)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C12H18N2O2.2ClH/c1-14(9-11(13)12(15)16)8-7-10-5-3-2-4-6-10;;/h2-6,11H,7-9,13H2,1H3,(H,15,16);2*1H