2-heptyl-1-(2-methyloctyl)pyridin-1-ium bromide

Systemtic Name: 2-heptyl-1-(2-methyloctyl)pyridin-1-ium bromide Openeye Name: 2-heptyl-1-(2-methyloctyl)pyridin-1-ium bromide CAS Name: 2-heptyl-1-(2-methyloctyl)pyridin-1-ium bromide IUPAC Name: 2-heptyl-1-(2-methyloctyl)pyridin-1-ium bromide Traditional Name: 2-heptyl-1-(2-methyloctyl)pyridin-1-ium bromide Formula: C21H38BrN MolecularWeight: 384.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC=[N+]1CC(C)CCCCCC.[Br-]

Isomeric SMILES

CCCCCCCC1=CC=CC=[N+]1CC(C)CCCCCC.[Br-]

InChI

InChI=1S/C21H38N.BrH/c1-4-6-8-10-12-16-21-17-13-14-18-22(21)19-20(3)15-11-9-7-5-2;/h13-14,17-18,20H,4-12,15-16,19H2,1-3H3;1H/q+1;/p-1