2-[2-(2-heptadecylperoxyethyl)pyridin-1-ium-1-yl]ethanamine chloride

Systemtic Name: 2-[2-(2-heptadecylperoxyethyl)pyridin-1-ium-1-yl]ethanamine chloride Openeye Name: 2-[2-(2-heptadecylperoxyethyl)pyridin-1-ium-1-yl]ethanamine chloride CAS Name: 2-[2-(2-heptadecyldioxyethyl)-1-pyridin-1-iumyl]ethanamine chloride IUPAC Name: 2-[2-(2-heptadecylperoxyethyl)pyridin-1-ium-1-yl]ethanamine chloride Traditional Name: 2-[2-(2-heptadecylperoxyethyl)pyridin-1-ium-1-yl]ethylamine chloride Formula: C26H49ClN2O2 MolecularWeight: 457.13246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOOCCC1=CC=CC=[N+]1CCN.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCOOCCC1=CC=CC=[N+]1CCN.[Cl-]

InChI

InChI=1S/C26H49N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-29-30-25-20-26-19-16-17-22-28(26)23-21-27;/h16-17,19,22H,2-15,18,20-21,23-25,27H2,1H3;1H/q+1;/p-1