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

Systemtic Name: 2-[5-ethoxycarbonyl-2-(oxidanylideneazaniumylmethylidene)pyridin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[5-ethoxycarbonyl-2-(oxoammoniomethylene)-1-pyridyl]ethyl-dimethyl-ammonium CAS Name: 2-[5-ethoxycarbonyl-2-(oxoammoniomethylidene)-1-pyridinyl]ethyl-dimethylammonium IUPAC Name: 2-[5-ethoxycarbonyl-2-(oxoazaniumylmethylidene)pyridin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[5-carbethoxy-2-(ketoammoniomethylene)-1-pyridyl]ethyl-dimethyl-ammonium Formula: C13H21N3O3+2 MolecularWeight: 267.32414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3/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/p+2