[(1S)-3-methoxy-3-oxidanylidene-1-pyridin-1-ium-3-yl-propyl]azanium dichloride

Systemtic Name: [(1S)-3-methoxy-3-oxidanylidene-1-pyridin-1-ium-3-yl-propyl]azanium dichloride Openeye Name: [(1S)-3-methoxy-3-oxo-1-pyridin-1-ium-3-yl-propyl]ammonium dichloride CAS Name: [(1S)-3-methoxy-3-oxo-1-(3-pyridin-1-iumyl)propyl]ammonium dichloride IUPAC Name: [(1S)-3-methoxy-3-oxo-1-pyridin-1-ium-3-ylpropyl]azanium dichloride Traditional Name: [(1S)-3-keto-3-methoxy-1-pyridin-1-ium-3-yl-propyl]ammonium dichloride Formula: C9H14Cl2N2O2 MolecularWeight: 253.12566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O2.2ClH/c1-13-9(12)5-8(10)7-3-2-4-11-6-7;;/h2-4,6,8H,5,10H2,1H3;2*1H/t8-;;/m0../s1