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

Systemtic Name: methyl 1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[2-(1H-indol-3-yl)ethyl]-3-pyridin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylic acid methyl ester bromide Formula: C17H17BrN2O2 MolecularWeight: 361.23308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N2O2.BrH/c1-21-17(20)14-5-4-9-19(12-14)10-8-13-11-18-16-7-3-2-6-15(13)16;/h2-7,9,11-12,18H,8,10H2,1H3;1H/q+1;/p-1