ethyl 2-(2,3-dimethylperimidin-3-ium-1-yl)ethanoate iodide

Systemtic Name: ethyl 2-(2,3-dimethylperimidin-3-ium-1-yl)ethanoate iodide Openeye Name: ethyl 2-(2,3-dimethylperimidin-3-ium-1-yl)acetate iodide CAS Name: 2-(2,3-dimethyl-1-perimidin-3-iumyl)acetic acid ethyl ester iodide IUPAC Name: ethyl 2-(2,3-dimethylperimidin-3-ium-1-yl)acetate iodide Traditional Name: 2-(2,3-dimethylperimidin-3-ium-1-yl)acetic acid ethyl ester iodide Formula: C17H19IN2O2 MolecularWeight: 410.24943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=[N+](C2=CC=CC3=C2C1=CC=C3)C)C.[I-]

Isomeric SMILES

CCOC(=O)CN1C(=[N+](C2=CC=CC3=C2C1=CC=C3)C)C.[I-]

InChI

InChI=1S/C17H19N2O2.HI/c1-4-21-16(20)11-19-12(2)18(3)14-9-5-7-13-8-6-10-15(19)17(13)14;/h5-10H,4,11H2,1-3H3;1H/q+1;/p-1