ethyl 2-[1-[(4-bromophenyl)methyl]pyridin-1-ium-2-yl]ethanoate bromide

Systemtic Name: ethyl 2-[1-[(4-bromophenyl)methyl]pyridin-1-ium-2-yl]ethanoate bromide Openeye Name: ethyl 2-[1-[(4-bromophenyl)methyl]pyridin-1-ium-2-yl]acetate bromide CAS Name: 2-[1-[(4-bromophenyl)methyl]-2-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[1-[(4-bromophenyl)methyl]pyridin-1-ium-2-yl]acetate bromide Traditional Name: 2-[1-(4-bromobenzyl)pyridin-1-ium-2-yl]acetic acid ethyl ester bromide Formula: C16H17Br2NO2 MolecularWeight: 415.11968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=CC=[N+]1CC2=CC=C(C=C2)Br.[Br-]

Isomeric SMILES

CCOC(=O)CC1=CC=CC=[N+]1CC2=CC=C(C=C2)Br.[Br-]

InChI

InChI=1S/C16H17BrNO2.BrH/c1-2-20-16(19)11-15-5-3-4-10-18(15)12-13-6-8-14(17)9-7-13;/h3-10H,2,11-12H2,1H3;1H/q+1;/p-1