4-(3-ethylpentan-3-yl)-2-methyl-pyridin-1-ium iodide

Systemtic Name: 4-(3-ethylpentan-3-yl)-2-methyl-pyridin-1-ium iodide Openeye Name: 4-(1,1-diethylpropyl)-2-methyl-pyridin-1-ium iodide CAS Name: 4-(3-ethylpentan-3-yl)-2-methylpyridin-1-ium iodide IUPAC Name: 4-(3-ethylpentan-3-yl)-2-methylpyridin-1-ium iodide Traditional Name: 4-(1,1-diethylpropyl)-2-methyl-pyridin-1-ium iodide Formula: C13H22IN MolecularWeight: 319.22495

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC)C1=CC(=[NH+]C=C1)C.[I-]

Isomeric SMILES

CCC(CC)(CC)C1=CC(=[NH+]C=C1)C.[I-]

InChI

InChI=1S/C13H21N.HI/c1-5-13(6-2,7-3)12-8-9-14-11(4)10-12;/h8-10H,5-7H2,1-4H3;1H