1-butyl-4-hexadecan-7-yl-pyridin-1-ium bromide

Systemtic Name: 1-butyl-4-hexadecan-7-yl-pyridin-1-ium bromide Openeye Name: 1-butyl-4-(1-hexyldecyl)pyridin-1-ium bromide CAS Name: 1-butyl-4-hexadecan-7-ylpyridin-1-ium bromide IUPAC Name: 1-butyl-4-hexadecan-7-ylpyridin-1-ium bromide Traditional Name: 1-butyl-4-(1-hexyldecyl)pyridin-1-ium bromide Formula: C25H46BrN MolecularWeight: 440.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCC)C1=CC=[N+](C=C1)CCCC.[Br-]

Isomeric SMILES

CCCCCCCCCC(CCCCCC)C1=CC=[N+](C=C1)CCCC.[Br-]

InChI

InChI=1S/C25H46N.BrH/c1-4-7-10-12-13-14-16-18-24(17-15-11-8-5-2)25-19-22-26(23-20-25)21-9-6-3;/h19-20,22-24H,4-18,21H2,1-3H3;1H/q+1;/p-1