[(2R)-1-methoxy-1-oxidanylidene-3-pyridin-1-ium-3-yl-propan-2-yl]azanium dichloride

Systemtic Name: [(2R)-1-methoxy-1-oxidanylidene-3-pyridin-1-ium-3-yl-propan-2-yl]azanium dichloride Openeye Name: [(1R)-2-methoxy-2-oxo-1-(pyridin-1-ium-3-ylmethyl)ethyl]ammonium dichloride CAS Name: [(2R)-1-methoxy-1-oxo-3-(3-pyridin-1-iumyl)propan-2-yl]ammonium dichloride IUPAC Name: [(2R)-1-methoxy-1-oxo-3-pyridin-1-ium-3-ylpropan-2-yl]azanium dichloride Traditional Name: [(1R)-2-keto-2-methoxy-1-(pyridin-1-ium-3-ylmethyl)ethyl]ammonium dichloride Formula: C9H14Cl2N2O2 MolecularWeight: 253.12566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O2.2ClH/c1-13-9(12)8(10)5-7-3-2-4-11-6-7;;/h2-4,6,8H,5,10H2,1H3;2*1H/t8-;;/m1../s1