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ethyl 1-(phenylmethyl)-1H-pyrrol-1-ium-2-carboxylate bromide

ethyl 1-(phenylmethyl)-1H-pyrrol-1-ium-2-carboxylate bromide

Systemtic Name:ethyl 1-(phenylmethyl)-1H-pyrrol-1-ium-2-carboxylate bromide
Openeye Name:ethyl 1-benzyl-1H-pyrrol-1-ium-2-carboxylate bromide
CAS Name:1-(phenylmethyl)-1H-pyrrol-1-ium-2-carboxylic acid ethyl ester bromide
IUPAC Name:ethyl 1-benzyl-1H-pyrrol-1-ium-2-carboxylate bromide
Traditional Name:1-benzyl-1H-pyrrol-1-ium-2-carboxylic acid ethyl ester bromide
Formula: C14H16BrNO2
MolecularWeight: 310.18634
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C[NH+]1CC2=CC=CC=C2.[Br-]


Isomeric SMILES

CCOC(=O)C1=CC=C[NH+]1CC2=CC=CC=C2.[Br-]


InChI

InChI=1S/C14H15NO2.BrH/c1-2-17-14(16)13-9-6-10-15(13)11-12-7-4-3-5-8-12;/h3-10H,2,11H2,1H3;1H


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