1-[(4-methoxyphenyl)methyl]-3-[8-(oxan-2-yloxy)octyl]pyridin-1-ium iodide

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[8-(oxan-2-yloxy)octyl]pyridin-1-ium iodide Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-(8-tetrahydropyran-2-yloxyoctyl)pyridin-1-ium iodide CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[8-(2-oxanyloxy)octyl]pyridin-1-ium iodide IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[8-(oxan-2-yloxy)octyl]pyridin-1-ium iodide Traditional Name: 1-p-anisyl-3-(8-tetrahydropyran-2-yloxyoctyl)pyridin-1-ium iodide Formula: C26H38INO3 MolecularWeight: 539.48929

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)CCCCCCCCOC3CCCCO3.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)CCCCCCCCOC3CCCCO3.[I-]

InChI

InChI=1S/C26H38NO3.HI/c1-28-25-16-14-24(15-17-25)22-27-18-10-12-23(21-27)11-6-4-2-3-5-8-19-29-26-13-7-9-20-30-26;/h10,12,14-18,21,26H,2-9,11,13,19-20,22H2,1H3;1H/q+1;/p-1