1-pyridin-1-ium-1-yldodecane-3,5-diol bromide

Systemtic Name: 1-pyridin-1-ium-1-yldodecane-3,5-diol bromide Openeye Name: 1-pyridin-1-ium-1-yldodecane-3,5-diol bromide CAS Name: 1-(1-pyridin-1-iumyl)dodecane-3,5-diol bromide IUPAC Name: 1-pyridin-1-ium-1-yldodecane-3,5-diol bromide Traditional Name: 1-pyridin-1-ium-1-yldodecane-3,5-diol bromide Formula: C17H30BrNO2 MolecularWeight: 360.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(CC[N+]1=CC=CC=C1)O)O.[Br-]

Isomeric SMILES

CCCCCCCC(CC(CC[N+]1=CC=CC=C1)O)O.[Br-]

InChI

InChI=1S/C17H30NO2.BrH/c1-2-3-4-5-7-10-16(19)15-17(20)11-14-18-12-8-6-9-13-18;/h6,8-9,12-13,16-17,19-20H,2-5,7,10-11,14-15H2,1H3;1H/q+1;/p-1