methyl 5-bromanyl-3H-indol-1-ium-1-carboxylate

Systemtic Name: methyl 5-bromanyl-3H-indol-1-ium-1-carboxylate Openeye Name: methyl 5-bromo-3H-indol-1-ium-1-carboxylate CAS Name: 5-bromo-3H-indol-1-ium-1-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3H-indol-1-ium-1-carboxylate Traditional Name: 5-bromo-3H-indol-1-ium-1-carboxylic acid methyl ester Formula: C10H9BrNO2+ MolecularWeight: 255.08796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[N+]1=CCC2=C1C=CC(=C2)Br

Isomeric SMILES

COC(=O)[N+]1=CCC2=C1C=CC(=C2)Br

InChI

InChI=1S/C10H9BrNO2/c1-14-10(13)12-5-4-7-6-8(11)2-3-9(7)12/h2-3,5-6H,4H2,1H3/q+1