ethyl 1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-4-carboxylate bromide Openeye Name: ethyl 1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-4-carboxylate bromide CAS Name: 1-[2-(1H-indol-3-yl)ethyl]-4-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-4-carboxylate bromide Traditional Name: 1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-4-carboxylic acid ethyl ester bromide Formula: C18H19BrN2O2 MolecularWeight: 375.25966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2.BrH/c1-2-22-18(21)14-7-10-20(11-8-14)12-9-15-13-19-17-6-4-3-5-16(15)17;/h3-8,10-11,13H,2,9,12H2,1H3;1H