1-[(2,5-dimethylphenyl)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium iodide

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium iodide Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium iodide CAS Name: 1-[(2,5-dimethylphenyl)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium iodide IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium iodide Traditional Name: 1-(2,5-dimethylbenzyl)-2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium iodide Formula: C18H22INO2 MolecularWeight: 411.27725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[N+]2=CC=CC=C2C3(OCCO3)C.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[N+]2=CC=CC=C2C3(OCCO3)C.[I-]

InChI

InChI=1S/C18H22NO2.HI/c1-14-7-8-15(2)16(12-14)13-19-9-5-4-6-17(19)18(3)20-10-11-21-18;/h4-9,12H,10-11,13H2,1-3H3;1H/q+1;/p-1