2-[(2E)-5-ethoxycarbonyl-2-(oxidanylideneazaniumylmethylidene)pyridin-1-yl]ethyl-dimethyl-azanium dichloride

Systemtic Name: 2-[(2E)-5-ethoxycarbonyl-2-(oxidanylideneazaniumylmethylidene)pyridin-1-yl]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[(2E)-5-ethoxycarbonyl-2-(oxoammoniomethylene)-1-pyridyl]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[(2E)-5-ethoxycarbonyl-2-(oxoammoniomethylidene)-1-pyridinyl]ethyl-dimethylammonium dichloride IUPAC Name: 2-[(2E)-5-ethoxycarbonyl-2-(oxoazaniumylmethylidene)pyridin-1-yl]ethyl-dimethylazanium dichloride Traditional Name: 2-[(2E)-5-carbethoxy-2-(ketoammoniomethylene)-1-pyridyl]ethyl-dimethyl-ammonium dichloride Formula: C13H21Cl2N3O3 MolecularWeight: 338.23014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C[NH+]=O)C=C1)CC[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)C1=CN(/C(=C/[NH+]=O)/C=C1)CC[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C13H19N3O3.2ClH/c1-4-19-13(17)11-5-6-12(9-14-18)16(10-11)8-7-15(2)3;;/h5-6,9-10H,4,7-8H2,1-3H3;2*1H/b12-9+;;