[(2S)-1-methoxy-1,5-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pentan-2-yl]azanium dichloride

Systemtic Name: [(2S)-1-methoxy-1,5-bis(oxidanylidene)-5-pyridin-1-ium-3-yl-pentan-2-yl]azanium dichloride Openeye Name: [(1S)-1-methoxycarbonyl-4-oxo-4-pyridin-1-ium-3-yl-butyl]ammonium dichloride CAS Name: [(2S)-1-methoxy-1,5-dioxo-5-(3-pyridin-1-iumyl)pentan-2-yl]ammonium dichloride IUPAC Name: [(2S)-1-methoxy-1,5-dioxo-5-pyridin-1-ium-3-ylpentan-2-yl]azanium dichloride Traditional Name: [(1S)-1-carbomethoxy-4-keto-4-pyridin-1-ium-3-yl-butyl]ammonium dichloride Formula: C11H16Cl2N2O3 MolecularWeight: 295.16234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3.2ClH/c1-16-11(15)9(12)4-5-10(14)8-3-2-6-13-7-8;;/h2-3,6-7,9H,4-5,12H2,1H3;2*1H/t9-;;/m0../s1