1-dodecylpyridin-1-ium-4-carbonitrile bromide

Systemtic Name: 1-dodecylpyridin-1-ium-4-carbonitrile bromide Openeye Name: 1-dodecylpyridin-1-ium-4-carbonitrile bromide CAS Name: 1-dodecyl-4-pyridin-1-iumcarbonitrile bromide IUPAC Name: 1-dodecylpyridin-1-ium-4-carbonitrile bromide Traditional Name: 1-laurylpyridin-1-ium-4-carbonitrile bromide Formula: C18H29BrN2 MolecularWeight: 353.34026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-18(17-19)13-16-20;/h12-13,15-16H,2-11,14H2,1H3;1H/q+1;/p-1