1-[1-[2-(1H-indol-3-yl)ethyl]-5-methoxy-pyridin-1-ium-3-yl]ethanol bromide

Systemtic Name: 1-[1-[2-(1H-indol-3-yl)ethyl]-5-methoxy-pyridin-1-ium-3-yl]ethanol bromide Openeye Name: 1-[1-[2-(1H-indol-3-yl)ethyl]-5-methoxy-pyridin-1-ium-3-yl]ethanol bromide CAS Name: 1-[1-[2-(1H-indol-3-yl)ethyl]-5-methoxy-3-pyridin-1-iumyl]ethanol bromide IUPAC Name: 1-[1-[2-(1H-indol-3-yl)ethyl]-5-methoxypyridin-1-ium-3-yl]ethanol bromide Traditional Name: 1-[1-[2-(1H-indol-3-yl)ethyl]-5-methoxy-pyridin-1-ium-3-yl]ethanol bromide Formula: C18H21BrN2O2 MolecularWeight: 377.27554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C[N+](=C1)CCC2=CNC3=CC=CC=C32)OC)O.[Br-]

Isomeric SMILES

CC(C1=CC(=C[N+](=C1)CCC2=CNC3=CC=CC=C32)OC)O.[Br-]

InChI

InChI=1S/C18H21N2O2.BrH/c1-13(21)15-9-16(22-2)12-20(11-15)8-7-14-10-19-18-6-4-3-5-17(14)18;/h3-6,9-13,19,21H,7-8H2,1-2H3;1H/q+1;/p-1