1-octadecylpyridin-1-ium-3-carbonitrile bromide

Systemtic Name: 1-octadecylpyridin-1-ium-3-carbonitrile bromide Openeye Name: 1-octadecylpyridin-1-ium-3-carbonitrile bromide CAS Name: 1-octadecyl-3-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-octadecylpyridin-1-ium-3-carbonitrile bromide Traditional Name: 1-stearylpyridin-1-ium-3-carbonitrile bromide Formula: C24H41BrN2 MolecularWeight: 437.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C#N.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C#N.[Br-]

InChI

InChI=1S/C24H41N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-21-18-19-24(22-25)23-26;/h18-19,21,23H,2-17,20H2,1H3;1H/q+1;/p-1