1-dodec-9-ynyl-3-methyl-pyridin-1-ium bromide

Systemtic Name: 1-dodec-9-ynyl-3-methyl-pyridin-1-ium bromide Openeye Name: 1-dodec-9-ynyl-3-methyl-pyridin-1-ium bromide CAS Name: 1-dodec-9-ynyl-3-methylpyridin-1-ium bromide IUPAC Name: 1-dodec-9-ynyl-3-methylpyridin-1-ium bromide Traditional Name: 1-dodec-9-ynyl-3-methyl-pyridin-1-ium bromide Formula: C18H28BrN MolecularWeight: 338.32562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N.BrH/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-18(2)17-19;/h13-14,16-17H,3,6-12,15H2,1-2H3;1H/q+1;/p-1