1-hexyl-4-(2-methyloctyl)pyridin-1-ium bromide

Systemtic Name: 1-hexyl-4-(2-methyloctyl)pyridin-1-ium bromide Openeye Name: 1-hexyl-4-(2-methyloctyl)pyridin-1-ium bromide CAS Name: 1-hexyl-4-(2-methyloctyl)pyridin-1-ium bromide IUPAC Name: 1-hexyl-4-(2-methyloctyl)pyridin-1-ium bromide Traditional Name: 1-hexyl-4-(2-methyloctyl)pyridin-1-ium bromide Formula: C20H36BrN MolecularWeight: 370.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CC1=CC=[N+](C=C1)CCCCCC.[Br-]

Isomeric SMILES

CCCCCCC(C)CC1=CC=[N+](C=C1)CCCCCC.[Br-]

InChI

InChI=1S/C20H36N.BrH/c1-4-6-8-10-12-19(3)18-20-13-16-21(17-14-20)15-11-9-7-5-2;/h13-14,16-17,19H,4-12,15,18H2,1-3H3;1H/q+1;/p-1