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

Systemtic Name: ethyl 2-[1-[(4-methylphenyl)methyl]pyridin-1-ium-2-yl]ethanoate bromide Openeye Name: ethyl 2-[1-(p-tolylmethyl)pyridin-1-ium-2-yl]acetate bromide CAS Name: 2-[1-[(4-methylphenyl)methyl]-2-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[1-[(4-methylphenyl)methyl]pyridin-1-ium-2-yl]acetate bromide Traditional Name: 2-[1-(4-methylbenzyl)pyridin-1-ium-2-yl]acetic acid ethyl ester bromide Formula: C17H20BrNO2 MolecularWeight: 350.2502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20NO2.BrH/c1-3-20-17(19)12-16-6-4-5-11-18(16)13-15-9-7-14(2)8-10-15;/h4-11H,3,12-13H2,1-2H3;1H/q+1;/p-1