1-(2-diethylaminoethyl)pyridin-1-ium-3-carboxylate hydroiodide

Systemtic Name: 1-(2-diethylaminoethyl)pyridin-1-ium-3-carboxylate hydroiodide Openeye Name: 1-(2-diethylaminoethyl)pyridin-1-ium-3-carboxylate hydroiodide CAS Name: 1-(2-diethylaminoethyl)-3-pyridin-1-iumcarboxylate hydroiodide IUPAC Name: 1-(2-diethylaminoethyl)pyridin-1-ium-3-carboxylate hydroiodide Traditional Name: 1-(2-diethylaminoethyl)pyridin-1-ium-3-carboxylate hydroiodide Formula: C12H19IN2O2 MolecularWeight: 350.19593

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=CC=CC(=C1)C(=O)[O-].I

Isomeric SMILES

CCN(CC)CC[N+]1=CC=CC(=C1)C(=O)[O-].I

InChI

InChI=1S/C12H18N2O2.HI/c1-3-13(4-2)8-9-14-7-5-6-11(10-14)12(15)16;/h5-7,10H,3-4,8-9H2,1-2H3;1H