1,2-bis(1-methylpyridin-1-ium-2-yl)ethane-1,2-diol bromide

Systemtic Name: 1,2-bis(1-methylpyridin-1-ium-2-yl)ethane-1,2-diol bromide Openeye Name: 1,2-bis(1-methylpyridin-1-ium-2-yl)ethane-1,2-diol bromide CAS Name: 1,2-bis(1-methyl-2-pyridin-1-iumyl)ethane-1,2-diol bromide IUPAC Name: 1,2-bis(1-methylpyridin-1-ium-2-yl)ethane-1,2-diol bromide Traditional Name: 1,2-bis(1-methylpyridin-1-ium-2-yl)ethane-1,2-diol bromide Formula: C14H18BrN2O2+ MolecularWeight: 326.20892

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(C(C2=CC=CC=[N+]2C)O)O.[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1C(C(C2=CC=CC=[N+]2C)O)O.[Br-]

InChI

InChI=1S/C14H18N2O2.BrH/c1-15-9-5-3-7-11(15)13(17)14(18)12-8-4-6-10-16(12)2;/h3-10,13-14,17-18H,1-2H3;1H/q+2;/p-1