(3-azaniumyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-methyl-(phenylmethyl)azanium dichloride

Systemtic Name: (3-azaniumyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-methyl-(phenylmethyl)azanium dichloride Openeye Name: [1-(azaniumylmethyl)-2-hydroxy-2-oxo-ethyl]-benzyl-methyl-ammonium dichloride CAS Name: (3-ammonio-1-hydroxy-1-oxopropan-2-yl)-methyl-(phenylmethyl)ammonium dichloride IUPAC Name: (3-azaniumyl-1-hydroxy-1-oxopropan-2-yl)-benzyl-methylazanium dichloride Traditional Name: [1-(ammoniomethyl)-2-hydroxy-2-keto-ethyl]-benzyl-methyl-ammonium dichloride Formula: C11H18Cl2N2O2 MolecularWeight: 281.17882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C(C[NH3+])C(=O)O.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C(C[NH3+])C(=O)O.[Cl-].[Cl-]

InChI

InChI=1S/C11H16N2O2.2ClH/c1-13(10(7-12)11(14)15)8-9-5-3-2-4-6-9;;/h2-6,10H,7-8,12H2,1H3,(H,14,15);2*1H