1-methyl-2-[2-(1-phenylethyl)-1,3-dioxan-5-yl]pyridin-1-ium iodide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1OCC(CO1)C2=CC=CC=[N+]2C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC(C1OCC(CO1)C2=CC=CC=[N+]2C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H22NO2.HI/c1-14(15-8-4-3-5-9-15)18-20-12-16(13-21-18)17-10-6-7-11-19(17)2;/h3-11,14,16,18H,12-13H2,1-2H3;1H/q+1;/p-1