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

Systemtic Name: [(2S)-1,5,5-trimethoxy-1-oxidanylidene-5-pyridin-1-ium-3-yl-pentan-2-yl]azanium dichloride Openeye Name: [(1S)-4,4-dimethoxy-1-methoxycarbonyl-4-pyridin-1-ium-3-yl-butyl]ammonium dichloride CAS Name: [(2S)-1,5,5-trimethoxy-1-oxo-5-(3-pyridin-1-iumyl)pentan-2-yl]ammonium dichloride IUPAC Name: [(2S)-1,5,5-trimethoxy-1-oxo-5-pyridin-1-ium-3-ylpentan-2-yl]azanium dichloride Traditional Name: [(1S)-1-carbomethoxy-4,4-dimethoxy-4-pyridin-1-ium-3-yl-butyl]ammonium dichloride Formula: C13H22Cl2N2O4 MolecularWeight: 341.23078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4.2ClH/c1-17-12(16)11(14)6-7-13(18-2,19-3)10-5-4-8-15-9-10;;/h4-5,8-9,11H,6-7,14H2,1-3H3;2*1H/t11-;;/m0../s1