1-hexadecylpyridin-1-ium bromide hydrate

Systemtic Name: 1-hexadecylpyridin-1-ium bromide hydrate Openeye Name: 1-hexadecylpyridin-1-ium bromide hydrate CAS Name: 1-hexadecylpyridin-1-ium bromide hydrate IUPAC Name: 1-hexadecylpyridin-1-ium bromide hydrate Traditional Name: 1-cetylpyridin-1-ium bromide hydrate Formula: C21H40BrNO MolecularWeight: 402.4524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Br-]

InChI

InChI=1S/C21H38N.BrH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1