1-butyl-2-tridecyl-pyridin-1-ium bromide

Systemtic Name: 1-butyl-2-tridecyl-pyridin-1-ium bromide Openeye Name: 1-butyl-2-tridecyl-pyridin-1-ium bromide CAS Name: 1-butyl-2-tridecylpyridin-1-ium bromide IUPAC Name: 1-butyl-2-tridecylpyridin-1-ium bromide Traditional Name: 1-butyl-2-tridecyl-pyridin-1-ium bromide Formula: C22H40BrN MolecularWeight: 398.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=CC=[N+]1CCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=CC=[N+]1CCCC.[Br-]

InChI

InChI=1S/C22H40N.BrH/c1-3-5-7-8-9-10-11-12-13-14-15-18-22-19-16-17-21-23(22)20-6-4-2;/h16-17,19,21H,3-15,18,20H2,1-2H3;1H/q+1;/p-1